| CAS Number | 306764-81-8 |
| Catalog Number | AG00BFAF(AGN-PC-0WQYG3) |
| Chemical Name | 5-(4-BROMO-PHENYLSULFAMOYL)-2-CHLORO-BENZOIC ACID |
| IUPAC Name | 5-[(4-bromophenyl)sulfamoyl]-2-chlorobenzoic acid |
| InChI | InChI=1S/C13H9BrClNO4S/c14-8-1-3-9(4-2-8)16-21(19,20)10-5-6-12(15)11(7-10)13(17)18/h1-7,16H,(H,17,18) |
| InChI Key | WFJZFEXHLJNUBP-UHFFFAOYSA-N |
| MDL Number | MFCD00634979 |
| Molecular Formula | C13H9BrClNO4S |
| Molecular Weight | 390.6369 |
| SMILES | O=C(O)C1=CC(S(=O)(NC2=CC=C(Br)C=C2)=O)=CC=C1Cl |
| Synonyms | 5-(4-Bromo-phenylsulfamoyl)-2-chloro-benzoic acid,
306764-81-8,
5-[(4-bromophenyl)sulfamoyl]-2-chlorobenzoic acid,
5-(N-(4-Bromophenyl)sulfamoyl)-2-chlorobenzoic acid,
AC1LLZA2,
CTK5I7597,
AC1Q7287,
MFCD00634979,
ZINC36378215,
AKOS000114995,
MCULE-8828128409,
NE11640,
EN300-00535,
J-516217,
CID1119030,
5-[(4-bromophenyl)sulfamoyl]-2-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