| CAS Number | 926252-91-7 |
| Catalog Number | AG019LMT |
| Chemical Name | 3-[(Cyclopropylamino)sulfonyl]-4-fluorobenzoic acid |
| IUPAC Name | 3-(cyclopropylsulfamoyl)-4-fluorobenzoic acid |
| InChI | InChI=1S/C10H10FNO4S/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 | NHDVPJCXYONAJB-UHFFFAOYSA-N |
| MDL Number | MFCD09041521 |
| Molecular Formula | C10H10FNO4S |
| Molecular Weight | 259.2541 |
| SMILES | OC(C1=CC(S(NC2CC2)(=O)=O)=C(F)C=C1)=O |
| Synonyms | 3-(cyclopropylsulfamoyl)-4-fluorobenzoic acid,
926252-91-7,
3-[(cyclopropylamino)sulfonyl]-4-fluorobenzoic acid,
AC1Q72SB,
SCHEMBL15847646,
CTK7I7754,
NHDVPJCXYONAJB-UHFFFAOYSA-N,
ZINC12997613,
AKOS000123776,
MCULE-9952213482,
NE37423,
EN300-31808,
3-(N-cyclopropylsulfamoyl)-4-fluorobenzoic acid,
Benzoic acid, 3-[(cyclopropylamino)sulfonyl]-4-fluoro,
|
| Complexity | 401 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 259.031g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.251g/mol |
| Monoisotopic Mass | 259.031g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 91.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number