| CAS Number | 1030694-72-4 |
| Catalog Number | AG01C4H8 |
| Chemical Name | 5-[(3-bromophenyl)sulfamoyl]-2-fluorobenzoic acid |
| IUPAC Name | 5-[(3-bromophenyl)sulfamoyl]-2-fluorobenzoic acid |
| InChI | InChI=1S/C13H9BrFNO4S/c14-8-2-1-3-9(6-8)16-21(19,20)10-4-5-12(15)11(7-10)13(17)18/h1-7,16H,(H,17,18) |
| InChI Key | PXXAMFCNVBFKKK-UHFFFAOYSA-N |
| MDL Number | MFCD10593020 |
| Molecular Formula | C13H9BrFNO4S |
| Molecular Weight | 374.1823 |
| SMILES | OC(C1=C(F)C=CC(S(NC2=CC(Br)=CC=C2)(=O)=O)=C1)=O |
| Synonyms | 5-[(3-bromophenyl)sulfamoyl]-2-fluorobenzoic acid,
1030694-72-4,
AC1P1G2Q,
ZINC36398779,
AKOS008941774,
MCULE-2327876548,
Z45620281,
CID8190141,
5-[(3-bromophenyl)sulfamoyl]-2-fluoro-benzoic Acid,
|
| Complexity | 481 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 372.942g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 374.18g/mol |
| Monoisotopic Mass | 372.942g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 91.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number