| CAS Number | 70631-88-8 |
| Catalog Number | AG00FHH8(AGN-PC-002ZWX) |
| Chemical Name | 4-(3-Fluorophenyl)butanoic acid |
| IUPAC Name | 4-(3-fluorophenyl)butanoic acid |
| InChI | InChI=1S/C10H11FO2/c11-9-5-1-3-8(7-9)4-2-6-10(12)13/h1,3,5,7H,2,4,6H2,(H,12,13) |
| InChI Key | SFUDEIQDDYJRKV-UHFFFAOYSA-N |
| MDL Number | MFCD06810498 |
| Molecular Formula | C10H11FO2 |
| Molecular Weight | 182.1915 |
| SMILES | OC(CCCC1=CC(F)=CC=C1)=O |
| Synonyms | 4-(3-fluorophenyl)butanoic acid,
70631-88-8,
4-(3-FLUORO-PHENYL)-BUTYRIC ACID,
Benzenebutanoic acid, 3-fluoro-,
3-Fluorobenzenebutanoic acid,
SCHEMBL315728,
4-(3-fluorophenyl)butyric acid,
SFUDEIQDDYJRKV-UHFFFAOYSA-N,
MFCD06810498,
ZINC34407856,
AKOS013529993,
BC657172,
SY129392,
MFCD06810498 (95%),
|
| 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