| CAS Number | 143654-62-0 |
| Catalog Number | AG00AS2X(AGN-PC-00PFRQ) |
| Chemical Name | 4-(2-Fluorophenyl)butanoic acid |
| IUPAC Name | 4-(2-fluorophenyl)butanoic acid |
| InChI | InChI=1S/C10H11FO2/c11-9-6-2-1-4-8(9)5-3-7-10(12)13/h1-2,4,6H,3,5,7H2,(H,12,13) |
| InChI Key | BFPNQUKYBZXOSL-UHFFFAOYSA-N |
| MDL Number | MFCD06810489 |
| Molecular Formula | C10H11FO2 |
| Molecular Weight | 182.1915 |
| SMILES | O=C(O)CCCC1=CC=CC=C1F |
| Synonyms | 4-(2-fluorophenyl)butanoic acid,
143654-62-0,
2-Fluoro-benzenebutanoic acid,
4-(2-FLUORO-PHENYL)-BUTYRIC ACID,
SCHEMBL1265758,
4-(2-fluorophenyl)butyric acid,
Benzenebutanoic acid, 2-fluoro-,
DTXSID20573266,
BFPNQUKYBZXOSL-UHFFFAOYSA-N,
KS-00000TE9,
MFCD06810489,
ZINC34571970,
AKOS013465277,
MCULE-7333605867,
AK200598,
BC657173,
DS-10236,
AS-871/40152269,
|
| Complexity | 170 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 182.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 182.194g/mol |
| Monoisotopic Mass | 182.074g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number