| CAS Number | 852933-49-4 |
| Catalog Number | AG019O7M |
| Chemical Name | 4-Chloro-3-(cyclopropylsulfamoyl)benzoic acid |
| IUPAC Name | 4-chloro-3-(cyclopropylsulfamoyl)benzoic acid |
| InChI | InChI=1S/C10H10ClNO4S/c11-8-4-1-6(10(13)14)5-9(8)17(15,16)12-7-2-3-7/h1,4-5,7,12H,2-3H2,(H,13,14) |
| InChI Key | BTKQESRSEHOQDB-UHFFFAOYSA-N |
| MDL Number | MFCD06655611 |
| Molecular Formula | C10H10ClNO4S |
| Molecular Weight | 275.7087 |
| SMILES | OC(C1=CC(S(NC2CC2)(=O)=O)=C(Cl)C=C1)=O |
| Synonyms | 4-chloro-3-(cyclopropylsulfamoyl)benzoic Acid,
852933-49-4,
EN300-13020,
AB00732868-01,
SR-01000068144,
SR-01000068144-1,
Z53039471,
CID4962178,
Benzoic acid, 4-chloro-3-[(cyclopropylamino)sulfonyl],
4-chloro-3-[(cyclopropylamino)sulfonyl]benzoic acid,
AC1NLQ8J,
AC1Q72RZ,
CTK7I7753,
ZINC4206083,
AKOS005209063,
MCULE-9543306346,
NE57870,
|
| Complexity | 401 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 275.002g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 275.703g/mol |
| Monoisotopic Mass | 275.002g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 91.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number