| CAS Number | 746655-91-4 |
| Catalog Number | AG019K24(AGN-PC-0U5TEB) |
| Chemical Name | 3-(3,4-Difluorobenzenesulfonamido)propanoic acid |
| IUPAC Name | 3-[(3,4-difluorophenyl)sulfonylamino]propanoic acid |
| InChI | InChI=1S/C9H9F2NO4S/c10-7-2-1-6(5-8(7)11)17(15,16)12-4-3-9(13)14/h1-2,5,12H,3-4H2,(H,13,14) |
| InChI Key | FOIFMFUVGLKIPE-UHFFFAOYSA-N |
| MDL Number | MFCD06357896 |
| Molecular Formula | C9H9F2NO4S |
| Molecular Weight | 265.2339 |
| SMILES | OC(CCNS(C1=CC(F)=C(F)C=C1)(=O)=O)=O |
| Synonyms | 3-(3,4-difluorobenzenesulfonamido)propanoic acid,
3-{[(3,4-difluorophenyl)sulfonyl]amino}propanoic acid,
746655-91-4,
AC1M8GCN,
AC1Q75OF,
3-[(3,4-difluorophenyl)sulfonylamino]propanoic Acid,
SCHEMBL2941910,
CTK7J4415,
ZINC3394264,
AKOS008940786,
MCULE-8423705547,
NE46445,
EN300-11015,
Z45532303,
CID2512736,
|
| Complexity | 368 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 265.022g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 265.231g/mol |
| Monoisotopic Mass | 265.022g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 91.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number