| CAS Number | 110931-78-7 |
| Catalog Number | AG008389(AGN-PC-0016Y6) |
| Chemical Name | 4-(2,4-Difluorophenyl)butanoic acid |
| IUPAC Name | 4-(2,4-difluorophenyl)butanoic acid |
| InChI | InChI=1S/C10H10F2O2/c11-8-5-4-7(9(12)6-8)2-1-3-10(13)14/h4-6H,1-3H2,(H,13,14) |
| InChI Key | IFFOGNBDGRXWFK-UHFFFAOYSA-N |
| MDL Number | MFCD06810482 |
| Molecular Formula | C10H10F2O2 |
| Molecular Weight | 200.1820 |
| SMILES | OC(CCCC1=C(F)C=C(F)C=C1)=O |
| Synonyms | 4-(2,4-DIFLUOROPHENYL)BUTANOIC ACID,
110931-78-7,
Benzenebutanoic acid, 2,4-difluoro-,
SCHEMBL6956901,
IFFOGNBDGRXWFK-UHFFFAOYSA-N,
4-(2,4-difluorophenyl)butyric acid,
MFCD06810482,
ZINC20217144,
2,4-DIFLUOROPHENYLBUTYRIC ACID,
AKOS009208232,
BBV-183169,
ACM110931787,
Benzenebutanoic acid,2,4-difluoro-,
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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