| CAS Number | 473477-03-1 |
| Catalog Number | AG00DBC0 |
| Chemical Name | 4-Bromo-3-(dimethylsulfamoyl)benzoic acid |
| IUPAC Name | 4-bromo-3-(dimethylsulfamoyl)benzoic acid |
| InChI | InChI=1S/C9H10BrNO4S/c1-11(2)16(14,15)8-5-6(9(12)13)3-4-7(8)10/h3-5H,1-2H3,(H,12,13) |
| InChI Key | BJOWPZCLJYDDMY-UHFFFAOYSA-N |
| MDL Number | MFCD06353544 |
| Molecular Formula | C9H10BrNO4S |
| Molecular Weight | 308.1490 |
| SMILES | O=C(O)C1=CC=C(Br)C(S(=O)(N(C)C)=O)=C1 |
| Synonyms | 4-bromo-3-[(dimethylamino)sulfonyl]benzoic acid,
473477-03-1,
4-bromo-3-(dimethylsulfamoyl)benzoic Acid,
4-Bromo-3-(N,N-dimethylsulfamoyl)benzoic acid,
AC1Q3WYG,
AC1MSC62,
SCHEMBL7213945,
CTK5I7750,
ZINC4200435,
AKOS008959175,
MCULE-6890836186,
NE13177,
FT-0766645,
EN300-10856,
SR-01000057722,
J-514710,
SR-01000057722-1,
Z53038378,
CID3556946,
|
| 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