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

Details

Stereochemistry ACHIRAL
Molecular Formula C14H13BN2O3S
Molecular Weight 300.141
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Diazaborine

SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2N=CC3=CC=CC=C3B2O

InChI

InChIKey=UQIDNSKBUXCODH-UHFFFAOYSA-N
InChI=1S/C14H13BN2O3S/c1-11-6-8-13(9-7-11)21(19,20)17-15(18)14-5-3-2-4-12(14)10-16-17/h2-10,18H,1H3

HIDE SMILES / InChI

Molecular Formula C14H13BN2O3S
Molecular Weight 300.141
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
YEB3W2L5P3
Record Status Validated (UNII)
Record Version