U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C9H6ClNO2
Molecular Weight 195.602
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-Chloroindole-2-carboxylic acid

SMILES

OC(=O)C1=CC2=C(N1)C=CC(Cl)=C2

InChI

InChIKey=FUQOTYRCMBZFOL-UHFFFAOYSA-N
InChI=1S/C9H6ClNO2/c10-6-1-2-7-5(3-6)4-8(11-7)9(12)13/h1-4,11H,(H,12,13)

HIDE SMILES / InChI

Molecular Formula C9H6ClNO2
Molecular Weight 195.602
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 12:02:57 GMT 2023
Edited
by admin
on Sat Dec 16 12:02:57 GMT 2023
Record UNII
HZ63WGR8YY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-Chloroindole-2-carboxylic acid
Systematic Name English
5-Chloro-1H-indole-2-carboxylic acid
Systematic Name English
5-Chloroindole-2-carboxylate
Systematic Name English
NSC-75651
Code English
1H-Indole-2-carboxylic acid, 5-chloro-
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
234-050-1
Created by admin on Sat Dec 16 12:02:57 GMT 2023 , Edited by admin on Sat Dec 16 12:02:57 GMT 2023
PRIMARY
FDA UNII
HZ63WGR8YY
Created by admin on Sat Dec 16 12:02:57 GMT 2023 , Edited by admin on Sat Dec 16 12:02:57 GMT 2023
PRIMARY
EPA CompTox
DTXSID60146993
Created by admin on Sat Dec 16 12:02:57 GMT 2023 , Edited by admin on Sat Dec 16 12:02:57 GMT 2023
PRIMARY
NSC
75651
Created by admin on Sat Dec 16 12:02:57 GMT 2023 , Edited by admin on Sat Dec 16 12:02:57 GMT 2023
PRIMARY
PUBCHEM
82693
Created by admin on Sat Dec 16 12:02:57 GMT 2023 , Edited by admin on Sat Dec 16 12:02:57 GMT 2023
PRIMARY
CAS
10517-21-2
Created by admin on Sat Dec 16 12:02:57 GMT 2023 , Edited by admin on Sat Dec 16 12:02:57 GMT 2023
PRIMARY