| CAS Number | 852933-48-3 |
| Catalog Number | AG00G3UP(AGN-PC-0LK8XX) |
| Chemical Name | 2-Bromo-5-(cyclopropylsulfamoyl)benzoic acid |
| IUPAC Name | 2-bromo-5-(cyclopropylsulfamoyl)benzoic acid |
| InChI | InChI=1S/C10H10BrNO4S/c11-9-4-3-7(5-8(9)10(13)14)17(15,16)12-6-1-2-6/h3-6,12H,1-2H2,(H,13,14) |
| InChI Key | NGOFHWMILIWKFA-UHFFFAOYSA-N |
| MDL Number | MFCD06655613 |
| Molecular Formula | C10H10BrNO4S |
| Molecular Weight | 320.1597 |
| SMILES | C1CC1NS(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)O |
| Synonyms | 2-bromo-5-[(cyclopropylamino)sulfonyl]benzoic acid,
852933-48-3,
2-bromo-5-(cyclopropylsulfamoyl)benzoic Acid,
2-Bromo-5-(N-cyclopropylsulfamoyl)benzoic acid,
AC1NLQ8L,
AC1Q721U,
CTK7I6746,
ZINC4206086,
AKOS008959395,
MCULE-7851462168,
NE18819,
EN300-13025,
SR-01000068143,
J-508336,
SR-01000068143-1,
Z53039477,
CID4962179,
|
| Complexity | 401 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 318.951g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 320.157g/mol |
| Monoisotopic Mass | 318.951g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 91.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number