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Details

Stereochemistry ACHIRAL
Molecular Formula C14H12ClNO2
Molecular Weight 261.704
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-[(4-Chloro-3-methylphenyl)amino]benzoic acid

SMILES

CC1=CC(NC2=C(C=CC=C2)C(O)=O)=CC=C1Cl

InChI

InChIKey=QDNMBJXNLJFNHT-UHFFFAOYSA-N
InChI=1S/C14H12ClNO2/c1-9-8-10(6-7-12(9)15)16-13-5-3-2-4-11(13)14(17)18/h2-8,16H,1H3,(H,17,18)

HIDE SMILES / InChI

Molecular Formula C14H12ClNO2
Molecular Weight 261.704
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 09:30:19 GMT 2023
Edited
by admin
on Sat Dec 16 09:30:19 GMT 2023
Record UNII
2Y5E6D59T9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-[(4-Chloro-3-methylphenyl)amino]benzoic acid
Systematic Name English
Benzoic acid, 2-[(4-chloro-3-methylphenyl)amino]-
Systematic Name English
Code System Code Type Description
PUBCHEM
5507
Created by admin on Sat Dec 16 09:30:19 GMT 2023 , Edited by admin on Sat Dec 16 09:30:19 GMT 2023
PRIMARY
CAS
898128-45-5
Created by admin on Sat Dec 16 09:30:19 GMT 2023 , Edited by admin on Sat Dec 16 09:30:19 GMT 2023
PRIMARY
EPA CompTox
DTXSID0048688
Created by admin on Sat Dec 16 09:30:19 GMT 2023 , Edited by admin on Sat Dec 16 09:30:19 GMT 2023
PRIMARY
FDA UNII
2Y5E6D59T9
Created by admin on Sat Dec 16 09:30:19 GMT 2023 , Edited by admin on Sat Dec 16 09:30:19 GMT 2023
PRIMARY