| CAS Number | 136295-00-6 |
| Catalog Number | AG00805D(AGN-PC-002ZWY) |
| Chemical Name | 4-(3,4-Difluorophenyl)butanoic acid |
| IUPAC Name | 4-(3,4-difluorophenyl)butanoic acid |
| InChI | InChI=1S/C10H10F2O2/c11-8-5-4-7(6-9(8)12)2-1-3-10(13)14/h4-6H,1-3H2,(H,13,14) |
| InChI Key | WJFMKSWYCLPPFV-UHFFFAOYSA-N |
| MDL Number | MFCD11168393 |
| Molecular Formula | C10H10F2O2 |
| Molecular Weight | 200.1820 |
| SMILES | O=C(O)CCCC1=CC=C(F)C(F)=C1 |
| Synonyms | 4-(3,4-difluorophenyl)butanoic acid,
136295-00-6,
Benzenebutanoic acid, 3,4-difluoro-,
ACMC-20mw3t,
SCHEMBL6954266,
CTK0B9514,
DTXSID30565334,
4-(3,4-difluorophenyl)butyric acid,
ZINC20217147,
AKOS009208862,
MCULE-7710428932,
NE26509,
A1-08093,
Z1398474125,
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| Complexity | 197 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 200.065g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 200.185g/mol |
| Monoisotopic Mass | 200.065g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number