| Formula |
C6H7BrN2O4 |
| IUPAC Name |
(2s)-2-azaniumyl-3-(4-bromo-3-oxo-isoxazol-5-yl)propanoate |
| Molecular Mass |
251.035 g·mol−1 |
| Heat of Formation |
-463.5 ± 16.7 kJ·mol−1 |
| Dipole Moment |
4.28 ± 1.08 D |
| Volume |
217.34 Å 3 |
| Surface Area |
202.31 Å 2 |
| HOMO Energy |
-9.61 ± 0.55 eV |
| LUMO Energy |
2.21 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- (2s)-2-amino-3-(4-bromo-3-keto-isoxazol-5-yl)propionic acid
- (2s)-2-amino-3-(4-bromo-3-oxo-1,2-oxazol-5-yl)propanoic acid
- (2s)-2-amino-3-(4-bromo-3-oxo-5-isoxazolyl)propanoic acid
- (2s)-2-amino-3-(4-bromo-3-oxo-isoxazol-5-yl)propanoic acid
- brh
|
| InChIKey |
JRTOQOAGTSUNHA-REOHCLBHSA-N |
| QR Code |
Generate QR Code |
| Links |
PubChem
ChemSpider
|
| DOI |
|
| Downloads |
Get JSON data
Get MOL2 data
Get SVG Image
|
| Elements |
H
C
O
Br
N
|
| |
|
