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Details

Stereochemistry ACHIRAL
Molecular Formula C7H4ClNO4
Molecular Weight 201.564
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-CHLORO-3-NITROBENZOIC ACID

SMILES

OC(=O)C1=CC=CC(=C1Cl)[N+]([O-])=O

InChI

InChIKey=JRQDVRIQJJPHEQ-UHFFFAOYSA-N
InChI=1S/C7H4ClNO4/c8-6-4(7(10)11)2-1-3-5(6)9(12)13/h1-3H,(H,10,11)

HIDE SMILES / InChI

Molecular Formula C7H4ClNO4
Molecular Weight 201.564
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 15:38:37 UTC 2023
Edited
by admin
on Sat Dec 16 15:38:37 UTC 2023
Record UNII
KG8W66PX35
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-CHLORO-3-NITROBENZOIC ACID
Systematic Name English
MESALAZINE IMPURITY Q [EP IMPURITY]
Common Name English
BENZOIC ACID, 2-CHLORO-3-NITRO-
Systematic Name English
NSC-92742
Code English
2-CHLORO-3-CARBOXYNITROBENZENE
Systematic Name English
Code System Code Type Description
PUBCHEM
19870
Created by admin on Sat Dec 16 15:38:37 UTC 2023 , Edited by admin on Sat Dec 16 15:38:37 UTC 2023
PRIMARY
CAS
3970-35-2
Created by admin on Sat Dec 16 15:38:37 UTC 2023 , Edited by admin on Sat Dec 16 15:38:37 UTC 2023
PRIMARY
NSC
92742
Created by admin on Sat Dec 16 15:38:37 UTC 2023 , Edited by admin on Sat Dec 16 15:38:37 UTC 2023
PRIMARY
ECHA (EC/EINECS)
223-590-3
Created by admin on Sat Dec 16 15:38:37 UTC 2023 , Edited by admin on Sat Dec 16 15:38:37 UTC 2023
PRIMARY
EPA CompTox
DTXSID30192785
Created by admin on Sat Dec 16 15:38:37 UTC 2023 , Edited by admin on Sat Dec 16 15:38:37 UTC 2023
PRIMARY
FDA UNII
KG8W66PX35
Created by admin on Sat Dec 16 15:38:37 UTC 2023 , Edited by admin on Sat Dec 16 15:38:37 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP