| CAS Number | 300667-30-5 |
| Catalog Number | AG00I5LW |
| Chemical Name | 3-[(4-Bromophenyl)sulfamoyl]benzoic acid |
| IUPAC Name | 3-[(4-bromophenyl)sulfamoyl]benzoic acid |
| InChI | InChI=1S/C13H10BrNO4S/c14-10-4-6-11(7-5-10)15-20(18,19)12-3-1-2-9(8-12)13(16)17/h1-8,15H,(H,16,17) |
| InChI Key | FSENLNZWRUKHDI-UHFFFAOYSA-N |
| MDL Number | MFCD00622726 |
| Molecular Formula | C13H10BrNO4S |
| Molecular Weight | 356.1918 |
| SMILES | OC(C1=CC(S(NC2=CC=C(Br)C=C2)(=O)=O)=CC=C1)=O |
| Synonyms | 3-(4-Bromo-phenylsulfamoyl)-benzoic acid,
3-[(4-bromophenyl)sulfamoyl]benzoic acid,
300667-30-5,
BAS 00086772,
AC1LM4VP,
AC1Q72U4,
SCHEMBL4253424,
CTK5I7601,
ZINC820118,
MFCD00622726,
AKOS000114739,
MCULE-2905253483,
NE11625,
EN300-00411,
SR-01000358261,
SR-01000358261-1,
CID1097195,
|
| Complexity | 440 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 354.951g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 356.19g/mol |
| Monoisotopic Mass | 354.951g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 91.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number