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

Details

Stereochemistry MIXED
Molecular Formula C11H14ClNO
Molecular Weight 211.688
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-CHLOROPHENMETRAZINE

SMILES

CC1NCCOC1C2=CC(Cl)=CC=C2

InChI

InChIKey=BOFUZZAQNVYZFF-UHFFFAOYSA-N
InChI=1S/C11H14ClNO/c1-8-11(14-6-5-13-8)9-3-2-4-10(12)7-9/h2-4,7-8,11,13H,5-6H2,1H3

HIDE SMILES / InChI

Molecular Formula C11H14ClNO
Molecular Weight 211.688
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
B6P88Q2VW5
Record Status Validated (UNII)
Record Version