Flow object JSON
{
"flow_object_id": "fo-63a8e6c05dc0a421",
"prefLabel": [
{
"@value": "1-chloro-3-isocyanatobenzene",
"@language": "en",
"@lang": "en",
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"EF 3.1"
],
"prov:wasDerivedFrom": "legacy name field"
}
}
],
"altLabel": [
{
"@value": "1-Isocyanato-3-chlorobenzene",
"@language": "en",
"@lang": "en",
"provenance": {
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"CAS:2909-38-8",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2909-38-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "3-Chloro-1-isocyanatobenzene",
"@language": "en",
"@lang": "en",
"provenance": {
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],
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}
},
{
"@value": "3-Chloroisocyanatobenzene",
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"@lang": "en",
"provenance": {
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],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "3-Chlorophenyl isocyanate",
"@language": "en",
"@lang": "en",
"provenance": {
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"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2909-38-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Benzene, 1-chloro-3-isocyanato-",
"@language": "en",
"@lang": "en",
"provenance": {
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"prov:wasAttributedTo": "consensus-flow-list",
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"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2909-38-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Isocyanic acid, m-chlorophenyl ester",
"@language": "en",
"@lang": "en",
"provenance": {
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],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "m-Chlorophenyl isocyanate",
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"https://commonchemistry.cas.org/detail?cas_rn=2909-38-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
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"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C7H4ClNO"
],
"attested_by": {
"C7H4ClNO": [
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"rdkit_post_consensus"
]
},
"rdfs:label": "Molecular formula",
"provenance": [
{
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"prov:hadPrimarySource": [
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],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
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"prov:hadPrimarySource": [
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]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"HHIRBXHEYVDUAM-UHFFFAOYSA-N"
],
"attested_by": {
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},
"rdfs:label": "InChIKey",
"provenance": [
{
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},
{
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]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
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"rdfs:label": "SMILES",
"@value": [
"O=C=Nc1cccc(Cl)c1"
],
"provenance": [
{
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]
},
{
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]
}
],
"attested_by": {
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}
},
"https://w3id.org/chemrof/inchi2d_string": {
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"rdfs:label": "InChI",
"@value": [
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],
"provenance": [
{
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},
{
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}
],
"attested_by": {
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}
},
"https://w3id.org/chemrof/IUPAC_name": {
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"rdfs:label": "IUPAC name",
"@value": [
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],
"provenance": {
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]
},
"attested_by": {
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]
}
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"rdfs:label": "Molecular mass",
"@value": [
153.568
],
"provenance": [
{
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"prov:hadPrimarySource": [
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]
},
{
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}
],
"attested_by": {
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},
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
},
"https://w3id.org/chemrof/monoisotopic_mass": {
"@id": "https://w3id.org/chemrof/monoisotopic_mass",
"rdfs:label": "Monoisotopic mass",
"@value": [
152.998141
],
"provenance": [
{
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},
{
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}
],
"attested_by": {
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},
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
}
},
"references": [
{
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},
{
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},
{
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{
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{
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},
{
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{
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{
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],
"created_from": {
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},
"classifications": {
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},
"origin_qualifier": null,
"parent_flow_object_id": null,
"parent_intervention_id": null,
"@type": [
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}
