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 2-Chlorobenzonitrile

SMILES

ClC1=CC=CC=C1C#N

InChI

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

Substance Class Chemical
Record UNII
C8Z5NE7QXJ
Record Status Validated (UNII)
Record Version