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

Details

Stereochemistry ACHIRAL
Molecular Formula C8H7ClO3
Molecular Weight 186.592
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-Chlorovanillin

SMILES

COC1=CC(C=O)=CC(Cl)=C1O

InChI

InChIKey=ONIVKFDMLVBDRK-UHFFFAOYSA-N
InChI=1S/C8H7ClO3/c1-12-7-3-5(4-10)2-6(9)8(7)11/h2-4,11H,1H3

HIDE SMILES / InChI

Molecular Formula C8H7ClO3
Molecular Weight 186.592
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 Tue Apr 01 19:07:22 GMT 2025
Edited
by admin
on Tue Apr 01 19:07:22 GMT 2025
Record UNII
6L2HJ5NXQ8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-45929
Preferred Name English
5-Chlorovanillin
Systematic Name English
3-Chloro-4-hydroxy-5-methoxybenzaldehyde
Systematic Name English
Vanillin, 5-chloro-
Systematic Name English
Benzaldehyde, 3-chloro-4-hydroxy-5-methoxy-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID9075161
Created by admin on Tue Apr 01 19:07:22 GMT 2025 , Edited by admin on Tue Apr 01 19:07:22 GMT 2025
PRIMARY
PUBCHEM
29622
Created by admin on Tue Apr 01 19:07:22 GMT 2025 , Edited by admin on Tue Apr 01 19:07:22 GMT 2025
PRIMARY
CAS
19463-48-0
Created by admin on Tue Apr 01 19:07:22 GMT 2025 , Edited by admin on Tue Apr 01 19:07:22 GMT 2025
PRIMARY
NSC
45929
Created by admin on Tue Apr 01 19:07:22 GMT 2025 , Edited by admin on Tue Apr 01 19:07:22 GMT 2025
PRIMARY
ECHA (EC/EINECS)
243-086-7
Created by admin on Tue Apr 01 19:07:22 GMT 2025 , Edited by admin on Tue Apr 01 19:07:22 GMT 2025
PRIMARY
FDA UNII
6L2HJ5NXQ8
Created by admin on Tue Apr 01 19:07:22 GMT 2025 , Edited by admin on Tue Apr 01 19:07:22 GMT 2025
PRIMARY