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(Q81996634)
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English
Benzoic acid, 4,5-dichloro-2-nitro-, methyl ester
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
248.959563
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₈H₅Cl₂NO₄
0 references
canonical SMILES
COC(=O)C1=CC(=C(C=C1[N+](=O)[O-])Cl)Cl
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Identifiers
InChI
InChI=1S/C8H5Cl2NO4/c1-15-8(12)4-2-5(9)6(10)3-7(4)11(13)14/h2-3H,1H3
0 references
InChIKey
PVDDBRQEFFELHC-UHFFFAOYSA-N
0 references
CAS Registry Number
63105-52-2
1 reference
stated in
CAS Common Chemistry
retrieved
7 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=63105-52-2
InChIKey
PVDDBRQEFFELHC-UHFFFAOYSA-N
PubChem CID
113008
1 reference
matched by identifier from
InChIKey
InChIKey
PVDDBRQEFFELHC-UHFFFAOYSA-N
UniChem compound ID
47544770
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID1069669
1 reference
matched by identifier from
InChIKey
InChIKey
PVDDBRQEFFELHC-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID9043647
0 references
UNII
Z3YN345K2L
1 reference
matched by identifier from
InChIKey
InChIKey
PVDDBRQEFFELHC-UHFFFAOYSA-N
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