Formula |
C14H13BN2O3S |
IUPAC Name |
1-hydroxy-2-(p-tolylsulfonyl)-2,3,1-benzodiazaborinine |
Molecular Mass |
300.141 g·mol−1 |
Heat of Formation |
-500.8 ± 16.7 kJ·mol−1 |
Dipole Moment |
6.04 ± 1.08 D |
Volume |
330.08 Å 3 |
Surface Area |
299.87 Å 2 |
HOMO Energy |
-9.09 ± 0.55 eV |
LUMO Energy |
2.33 ± eV |
Point Group Symmetry |
C1
|
Synonyms
|
- 1,2-dihydro-1-hydroxy-3-(4-methylphenylsulfonyl)-2,4,1-benzo[e]diazaborine
- 1-hydroxy-2-(4-methylphenyl)sulfonyl-2,3,1-benzodiazaborinine
- benzo[e]diazaborine analog
- ndt
|
InChIKey |
UQIDNSKBUXCODH-UHFFFAOYSA-N |
QR Code |
Generate QR Code |
Links |
PubChem
ChemSpider
|
DOI |
|
Downloads |
Get JSON data
Get MOL2 data
Get SVG Image
|
Elements |
C
B
H
O
N
S
|
|
|