3-Bromoisothiazole-4-Carbonitrile
Properties
Property | Value |
---|---|
Formula | C4HBrN2S |
IUPAC Name | 3-bromoisothiazole-4-carbonitrile |
Molecular Mass | 189.033 g·mol−1 |
Heat of Formation | 327.1 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.01 ± 1.08 D |
Volume | 153.23 Å 3 |
Surface Area | 157.18 Å 2 |
HOMO Energy | -9.79 ± 0.55 eV |
LUMO Energy | -1.97 ± eV |
Point Group Symmetry | Cs |
InChIKey | FMZAFRSEAKSCQY-UHFFFAOYSA-N |
QR Code | Generate QR Code |
Links | PubChem |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H S C Br N |