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

Details

Stereochemistry ACHIRAL
Molecular Formula C7H4ClN
Molecular Weight 137.566
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-CHLOROBENZONITRILE

SMILES

ClC1=CC=C(C=C1)C#N

InChI

InChIKey=GJNGXPDXRVXSEH-UHFFFAOYSA-N
InChI=1S/C7H4ClN/c8-7-3-1-6(5-9)2-4-7/h1-4H

HIDE SMILES / InChI

Molecular Formula C7H4ClN
Molecular Weight 137.566
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

Substance Class Chemical
Record UNII
4Z0HGP3A8A
Record Status Validated (UNII)
Record Version