| CAS Number | 1178942-44-3 |
| Catalog Number | AG00941C |
| Chemical Name | 2-Fluoro-4-(4-fluoro-2-methylphenyl)benzoic acid |
| IUPAC Name | 2-fluoro-4-(4-fluoro-2-methylphenyl)benzoic acid |
| InChI | InChI=1S/C14H10F2O2/c1-8-6-10(15)3-5-11(8)9-2-4-12(14(17)18)13(16)7-9/h2-7H,1H3,(H,17,18) |
| InChI Key | FONVBULAKGQXQQ-UHFFFAOYSA-N |
| MDL Number | MFCD12859243 |
| Molecular Formula | C14H10F2O2 |
| Molecular Weight | 248.2248 |
| SMILES | Fc1ccc(c(c1)C)c1ccc(c(c1)F)C(=O)O |
| Synonyms | 2-Fluoro-4-(4-fluoro-2-methylphenyl)benzoic acid,
1178942-44-3,
ACMC-2099va,
CTK8A9336,
DTXSID50716821,
ANW-17060,
MFCD12859243,
ZINC38068192,
AKOS005820793,
TC-105805,
Z7864,
3,4'-Difluoro-2'-methyl[1,1'-biphenyl]-4-carboxylic acid,
C14H10F2O2,
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| Complexity | 308 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.065g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 248.229g/mol |
| Monoisotopic Mass | 248.065g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number