| CAS Number | 1017675-07-8 |
| Catalog Number | AG019VHN |
| Chemical Name | 2-(4-Fluorobenzenesulfonyl)propanoic acid |
| IUPAC Name | 2-(4-fluorophenyl)sulfonylpropanoic acid |
| InChI | InChI=1S/C9H9FO4S/c1-6(9(11)12)15(13,14)8-4-2-7(10)3-5-8/h2-6H,1H3,(H,11,12) |
| InChI Key | MONMTZLCRRBKIN-UHFFFAOYSA-N |
| MDL Number | MFCD10024513 |
| Molecular Formula | C9H9FO4S |
| Molecular Weight | 232.2288 |
| SMILES | CC(S(C1=CC=C(F)C=C1)(=O)=O)C(O)=O |
| Synonyms | 2-(4-fluorobenzenesulfonyl)propanoic acid,
1017675-07-8,
2-[(4-fluorobenzene)sulfonyl]propanoic acid,
AC1Q1LH3,
SCHEMBL16232170,
CTK8F3909,
AKOS005202360,
MCULE-2095889209,
NE46956,
2-[(4-Fluorophenyl)sulfonyl]propanoic acid,
EN300-45271,
Z594038240,
|
| Complexity | 325 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 232.021g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.225g/mol |
| Monoisotopic Mass | 232.021g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 79.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number