| Formula |
C11H12BrNO3S |
| IUPAC Name |
(2r)-2-acetamido-3-(3-bromophenyl)sulfanyl-propanoic acid |
| Molecular Mass |
318.187 g·mol−1 |
| Heat of Formation |
-486.4 ± 16.7 kJ·mol−1 |
| Dipole Moment |
2.81 ± 1.08 D |
| Volume |
312.37 Å 3 |
| Surface Area |
259.29 Å 2 |
| HOMO Energy |
-8.99 ± 0.55 eV |
| LUMO Energy |
-1.22 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- (2r)-2-acetamido-3-(3-bromophenyl)sulfanyl-propanoic acid
- (2r)-2-acetamido-3-(3-bromophenyl)sulfanylpropanoic acid
- (2r)-2-acetamido-3-[(3-bromophenyl)thio]propanoic acid
- (2r)-2-acetamido-3-[(3-bromophenyl)thio]propionic acid
- l-cysteine, n-acetyl-s-(3-bromophenyl)-
- m-bpma
- meta-bromophenylmercapturic acid
- s-(3-bromophenyl)mercapturic acid
|
| CAS Number(s) |
|
| InChIKey |
OBKMKYALNXDNBZ-JTQLQIEISA-N |
| QR Code |
Generate QR Code |
| Links |
PubChem
ChemSpider
|
| DOI |
|
| Downloads |
Get JSON data
Get MOL2 data
Get SVG Image
|
| Elements |
C
H
O
N
S
Br
|
| |
|
