| CAS Number | 380193-41-9 |
| Catalog Number | AG00C6P7 |
| Chemical Name | 3-(N-(4-bromophenyl)sulfamoyl)-4-chlorobenzoic acid |
| IUPAC Name | 3-[(4-bromophenyl)sulfamoyl]-4-chlorobenzoic acid |
| InChI | InChI=1S/C13H9BrClNO4S/c14-9-2-4-10(5-3-9)16-21(19,20)12-7-8(13(17)18)1-6-11(12)15/h1-7,16H,(H,17,18) |
| InChI Key | UPDFFRNGNMGTCD-UHFFFAOYSA-N |
| MDL Number | MFCD02720434 |
| Molecular Formula | C13H9BrClNO4S |
| Molecular Weight | 390.6369 |
| SMILES | O=C(O)C1=CC=C(Cl)C(S(=O)(NC2=CC=C(Br)C=C2)=O)=C1 |
| Synonyms | 3-(4-Bromo-phenylsulfamoyl)-4-chloro-benzoic acid,
3-[(4-bromophenyl)sulfamoyl]-4-chlorobenzoic acid,
380193-41-9,
AC1M6AIC,
AC1Q738B,
CTK5I7591,
ZINC3252545,
AKOS000115039,
MCULE-7592055196,
NE23544,
EN300-00500,
J-510666,
3-(N-(4-Bromophenyl)sulfamoyl)-4-chlorobenzoic acid,
Z45620043,
2-hydroxy-benzeneacetonitrile,
CID2369451,
3-[(4-bromophenyl)sulfamoyl]-4-chloro-benzoic Acid,
|
| Complexity | 473 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 388.912g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 390.632g/mol |
| Monoisotopic Mass | 388.912g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 91.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number