| CAS Number | 1017197-73-7 |
| Catalog Number | AG01AAU0 |
| Chemical Name | 3-[(4-Fluorobenzene)sulfonyl]butanoic acid |
| IUPAC Name | 3-(4-fluorophenyl)sulfonylbutanoic acid |
| InChI | InChI=1S/C10H11FO4S/c1-7(6-10(12)13)16(14,15)9-4-2-8(11)3-5-9/h2-5,7H,6H2,1H3,(H,12,13) |
| InChI Key | VKSJLNGCOQANCQ-UHFFFAOYSA-N |
| MDL Number | MFCD09893950 |
| Molecular Formula | C10H11FO4S |
| Molecular Weight | 246.2553 |
| SMILES | CC(S(C1=CC=C(F)C=C1)(=O)=O)CC(O)=O |
| Synonyms | 3-(4-fluorobenzenesulfonyl)butanoic acid,
1017197-73-7,
3-[(4-fluorobenzene)sulfonyl]butanoic acid,
AC1Q1QYG,
SCHEMBL13822716,
AKOS008135366,
MCULE-7440377423,
NE19496,
EN300-69563,
Z1178484483,
3-(4-fluorophenylsulfonyl)butanoic acid,
|
| Complexity | 338 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 246.036g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 246.252g/mol |
| Monoisotopic Mass | 246.036g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 79.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number