| CAS Number | 781626-91-3 |
| Catalog Number | AG019JZ4 |
| Chemical Name | 3-(2-Bromobenzenesulfonamido)propanoic acid |
| IUPAC Name | 3-[(2-bromophenyl)sulfonylamino]propanoic acid |
| InChI | InChI=1S/C9H10BrNO4S/c10-7-3-1-2-4-8(7)16(14,15)11-6-5-9(12)13/h1-4,11H,5-6H2,(H,12,13) |
| InChI Key | ZEWPLGSMFCYFBR-UHFFFAOYSA-N |
| MDL Number | MFCD06353536 |
| Molecular Formula | C9H10BrNO4S |
| Molecular Weight | 308.1490 |
| SMILES | OC(CCNS(C1=C(Br)C=CC=C1)(=O)=O)=O |
| Synonyms | 3-(2-bromobenzenesulfonamido)propanoic acid,
3-{[(2-bromophenyl)sulfonyl]amino}propanoic acid,
781626-91-3,
3-[(2-bromophenyl)sulfonylamino]propanoic Acid,
AC1M7S3E,
AC1Q75OU,
MLS001002143,
CHEMBL1871235,
CTK7J4439,
HMS2672O15,
ZINC3355928,
AKOS008940766,
MCULE-5685642916,
NE50542,
SMR000368675,
EN300-10781,
SR-01000057714,
SR-01000057714-1,
Z45532371,
CID2473181,
|
| Complexity | 338 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 306.951g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 308.146g/mol |
| Monoisotopic Mass | 306.951g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 91.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number