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

Details

Stereochemistry ACHIRAL
Molecular Formula C7H6ClNO3
Molecular Weight 187.58
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-CHLORO-3-NITROBENZYL ALCOHOL

SMILES

OCC1=CC=C(Cl)C(=C1)[N+]([O-])=O

InChI

InChIKey=QLLRQJDSYJIXTN-UHFFFAOYSA-N
InChI=1S/C7H6ClNO3/c8-6-2-1-5(4-10)3-7(6)9(11)12/h1-3,10H,4H2

HIDE SMILES / InChI

Molecular Formula C7H6ClNO3
Molecular Weight 187.58
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 18:12:45 GMT 2025
Edited
by admin
on Tue Apr 01 18:12:45 GMT 2025
Record UNII
LXP7XTR3CA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-CHLORO-3-NITROBENZYL ALCOHOL
Systematic Name English
4-CHLORO-3-NITROBENZENEMETHANOL
Preferred Name English
BENZENEMETHANOL, 4-CHLORO-3-NITRO-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID90204515
Created by admin on Tue Apr 01 18:12:45 GMT 2025 , Edited by admin on Tue Apr 01 18:12:45 GMT 2025
PRIMARY
CAS
55912-20-4
Created by admin on Tue Apr 01 18:12:45 GMT 2025 , Edited by admin on Tue Apr 01 18:12:45 GMT 2025
PRIMARY
PUBCHEM
91933
Created by admin on Tue Apr 01 18:12:45 GMT 2025 , Edited by admin on Tue Apr 01 18:12:45 GMT 2025
PRIMARY
ECHA (EC/EINECS)
259-901-4
Created by admin on Tue Apr 01 18:12:45 GMT 2025 , Edited by admin on Tue Apr 01 18:12:45 GMT 2025
PRIMARY
FDA UNII
LXP7XTR3CA
Created by admin on Tue Apr 01 18:12:45 GMT 2025 , Edited by admin on Tue Apr 01 18:12:45 GMT 2025
PRIMARY