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Details

Stereochemistry ACHIRAL
Molecular Formula C7H5ClO2
Molecular Weight 156.566
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of O-CHLOROBENZOIC ACID

SMILES

OC(=O)C1=C(Cl)C=CC=C1

InChI

InChIKey=IKCLCGXPQILATA-UHFFFAOYSA-N
InChI=1S/C7H5ClO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10)

HIDE SMILES / InChI

Molecular Formula C7H5ClO2
Molecular Weight 156.566
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 Fri Dec 15 18:25:52 UTC 2023
Edited
by admin
on Fri Dec 15 18:25:52 UTC 2023
Record UNII
8P0867193V
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
O-CHLOROBENZOIC ACID
HSDB   MI  
Systematic Name English
BENZOIC ACID, 2-CHLORO-
Common Name English
TOLFENAMIC ACID IMPURITY A [EP IMPURITY]
Common Name English
RWJ-333369 METABOLITE M4
Common Name English
CHLOROBENZOIC ACID, O-
Common Name English
2-CHLOROBENZOIC ACID
Systematic Name English
MEFENAMIC ACID IMPURITY C [EP IMPURITY]
Common Name English
MESALAZINE IMPURITY L [EP IMPURITY]
Common Name English
R300100
Code English
NSC-15042
Code English
BENZOIC ACID, O-CHLORO-
Common Name English
O-CHLOROBENZOIC ACID [MI]
Common Name English
O-CHLOROBENZOIC ACID [HSDB]
Common Name English
Code System Code Type Description
CAS
118-91-2
Created by admin on Fri Dec 15 18:25:53 UTC 2023 , Edited by admin on Fri Dec 15 18:25:53 UTC 2023
PRIMARY
HSDB
6017
Created by admin on Fri Dec 15 18:25:53 UTC 2023 , Edited by admin on Fri Dec 15 18:25:53 UTC 2023
PRIMARY
MESH
C060415
Created by admin on Fri Dec 15 18:25:53 UTC 2023 , Edited by admin on Fri Dec 15 18:25:53 UTC 2023
PRIMARY
MERCK INDEX
m3395
Created by admin on Fri Dec 15 18:25:53 UTC 2023 , Edited by admin on Fri Dec 15 18:25:53 UTC 2023
PRIMARY Merck Index
WIKIPEDIA
2-CHLOROBENZOIC ACID
Created by admin on Fri Dec 15 18:25:53 UTC 2023 , Edited by admin on Fri Dec 15 18:25:53 UTC 2023
PRIMARY
EPA CompTox
DTXSID4024771
Created by admin on Fri Dec 15 18:25:53 UTC 2023 , Edited by admin on Fri Dec 15 18:25:53 UTC 2023
PRIMARY
FDA UNII
8P0867193V
Created by admin on Fri Dec 15 18:25:53 UTC 2023 , Edited by admin on Fri Dec 15 18:25:53 UTC 2023
PRIMARY
ECHA (EC/EINECS)
204-285-4
Created by admin on Fri Dec 15 18:25:53 UTC 2023 , Edited by admin on Fri Dec 15 18:25:53 UTC 2023
PRIMARY
CHEBI
30793
Created by admin on Fri Dec 15 18:25:53 UTC 2023 , Edited by admin on Fri Dec 15 18:25:53 UTC 2023
PRIMARY
NSC
15042
Created by admin on Fri Dec 15 18:25:53 UTC 2023 , Edited by admin on Fri Dec 15 18:25:53 UTC 2023
PRIMARY
PUBCHEM
8374
Created by admin on Fri Dec 15 18:25:53 UTC 2023 , Edited by admin on Fri Dec 15 18:25:53 UTC 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
Related Record Type Details
PARENT -> METABOLITE
URINE
Related Record Type Details
PARENT -> IMPURITY
Correction factors: for the calculation of contents, multiply the peak areas by 4.5
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
PARENT -> IMPURITY
Correction factors: for the calculation of contents, multiply the peak areas by 5.9
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Related Record Type Details
ACTIVE MOIETY