| CAS Number | 1019384-91-8 |
| Catalog Number | AG01AAUK |
| Chemical Name | 3-Bromo-4-(dimethylsulfamoyl)benzoic acid |
| IUPAC Name | 3-bromo-4-(dimethylsulfamoyl)benzoic acid |
| InChI | InChI=1S/C9H10BrNO4S/c1-11(2)16(14,15)8-4-3-6(9(12)13)5-7(8)10/h3-5H,1-2H3,(H,12,13) |
| InChI Key | PVZZRMYVFSLWKH-UHFFFAOYSA-N |
| MDL Number | MFCD11131893 |
| Molecular Formula | C9H10BrNO4S |
| Molecular Weight | 308.1490 |
| SMILES | CN(S(C1=C(Br)C=C(C(O)=O)C=C1)(=O)=O)C |
| Synonyms | 3-bromo-4-(dimethylsulfamoyl)benzoic acid,
1019384-91-8,
AC1Q3WXU,
ZINC19844361,
AKOS000215780,
MCULE-6492328370,
NE26396,
EN300-69621,
Z1178484481,
|
| Complexity | 362 |
| 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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 308.146g/mol |
| Monoisotopic Mass | 306.951g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 83.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number