1-(allyloxy)-2-methyl-1-oxopropan-2-yl 2-chloro-5-nitrobenzoate

1,1-Dimethyl-2-oxo-2-(2-propen-1-yloxy)ethyl 2-chloro-5-nitrobenzoate
Benzoic acid, 2-chloro-5-nitro-, 1,1-dimethyl-2-oxo-2-(2-propen-1-yloxy)ethyl ester
Benzoic acid, 2-chloro-5-nitro-, 1,1-dimethyl-2-oxo-2-(2-propenyloxy)ethyl ester

Property	Value
InChI2D key string chemrof:inchi2d_key_string	WPERCSAKEFXBRC-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C14H14ClNO6/c1-4-7-21-13(18)14(2,3)22-12(17)10-8-9(16(19)20)5-6-11(10)15/h4-6,8H,1,7H2,2-3H3
IUPAC name chemrof:IUPAC_name	1-(allyloxy)-2-methyl-1-oxopropan-2-yl 2-chloro-5-nitrobenzoate
Molecular formula chemrof:molecular_formula	C14H14ClNO6
Molecular mass chemrof:molecular_mass	327.72
Monoisotopic mass chemrof:monoisotopic_mass	327.050965
SMILES string chemrof:smiles_string	C=CCOC(=O)C(C)(C)OC(=O)c1cc([N+](=O)[O-])ccc1Cl

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource	URL	Recorded by
CAS Common Chemistry	https://commonchemistry.cas.org/detail?cas_rn=174489-76-0	enrich_references.pubchem_identifier_url
chem.echa.europa.eu	https://chem.echa.europa.eu/100.225.662	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID701036104	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/11782392	enrich_references.pubchem_compound

Flow	Context	Source	Unit	CFs
b0a60869-15e1-4a50-b57a-9059e77c2443	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
0664fa67-6b32-41a5-bfc4-999c76748ae4	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
a52b291a-5f12-469a-aeae-9c0a760645e3	Environmental → Air → Indoor	EF 3.1	kg	2
21a5c3d3-2c14-4108-930a-8ca93773f243	Environmental → Air → Long-term	EF 3.1	kg	0
666100f3-fb79-4370-8a04-6e07f28c5b26	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
9073b459-951d-44cc-8798-efcc3edf8a0f	Environmental → Air → Unknown	EF 3.1	kg	2
e6dcd5cf-1a49-4cb9-88fb-57188d1ff6e8	Environmental → Ground → Agricultural	EF 3.1	kg	2
f4cf695a-ce5e-4f07-982b-ec30aae7832e	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
4daf9520-2dac-442a-9709-168e0570cd34	Environmental → Ground → Unknown	EF 3.1	kg	2
d9f457b0-722e-453b-996c-8cfba83d7619	Environmental → Water → Long-term	EF 3.1	kg	0
a21758e7-b23f-4317-9676-ac13f986a60b	Environmental → Water → Ocean	EF 3.1	kg	2
cc59e56a-8eb4-4a4f-8ed2-dd51ace66a20	Environmental → Water → Surface water	EF 3.1	kg	2
e7a7ae0b-9ddb-486e-8195-fe0b6a7771f1	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (53 changes)

Open the changes page

Flow object JSON

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1-(allyloxy)-2-methyl-1-oxopropan-2-yl 2-chloro-5-nitrobenzoate

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Structure

Alternative labels

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