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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-5-NITROBENZOIC ACID

SMILES

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

InChI

InChIKey=QUEKGYQTRJVEQC-UHFFFAOYSA-N
InChI=1S/C7H4ClNO4/c8-6-2-1-4(9(12)13)3-5(6)7(10)11/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 11:25:23 UTC 2023
Edited
by admin
on Sat Dec 16 11:25:23 UTC 2023
Record UNII
P27EEY2MW8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-CHLORO-5-NITROBENZOIC ACID
Systematic Name English
NSC-8441
Code English
MESALAZINE IMPURITY M [EP IMPURITY]
Common Name English
BENZOIC ACID, 2-CHLORO-5-NITRO-
Systematic Name English
Code System Code Type Description
CAS
2516-96-3
Created by admin on Sat Dec 16 11:25:23 UTC 2023 , Edited by admin on Sat Dec 16 11:25:23 UTC 2023
PRIMARY
ECHA (EC/EINECS)
219-739-7
Created by admin on Sat Dec 16 11:25:23 UTC 2023 , Edited by admin on Sat Dec 16 11:25:23 UTC 2023
PRIMARY
EPA CompTox
DTXSID9062485
Created by admin on Sat Dec 16 11:25:23 UTC 2023 , Edited by admin on Sat Dec 16 11:25:23 UTC 2023
PRIMARY
FDA UNII
P27EEY2MW8
Created by admin on Sat Dec 16 11:25:23 UTC 2023 , Edited by admin on Sat Dec 16 11:25:23 UTC 2023
PRIMARY
PUBCHEM
17287
Created by admin on Sat Dec 16 11:25:23 UTC 2023 , Edited by admin on Sat Dec 16 11:25:23 UTC 2023
PRIMARY
NSC
8441
Created by admin on Sat Dec 16 11:25:23 UTC 2023 , Edited by admin on Sat Dec 16 11:25:23 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
Correction factors: for the calculation of contents, multiply the peak areas by 1.7
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP