| CAS Number | 1284813-06-4 |
| Catalog Number | AG009WTW(AGN-PC-0WNQ20) |
| Chemical Name | 2-Fluoro-2'-methyl-[1,1'-biphenyl]-4-carboxylic acid |
| IUPAC Name | 3-fluoro-4-(2-methylphenyl)benzoic acid |
| InChI | InChI=1S/C14H11FO2/c1-9-4-2-3-5-11(9)12-7-6-10(14(16)17)8-13(12)15/h2-8H,1H3,(H,16,17) |
| InChI Key | OHTLOVZYMOLAMY-UHFFFAOYSA-N |
| MDL Number | MFCD16509409 |
| Molecular Formula | C14H11FO2 |
| Molecular Weight | 230.2343 |
| SMILES | Fc1cc(ccc1c1ccccc1C)C(=O)O |
| Synonyms | 3-FLUORO-4-(2-METHYLPHENYL)BENZOIC ACID,
1284813-06-4,
ACMC-209qkd,
DTXSID70681401,
ANW-38699,
MFCD16509409,
ZINC43578255,
AKOS010970941,
TC-127444,
2-Fluoro-2'-methyl[1,1'-biphenyl]-4-carboxylic acid,
874133-65-0,
|
| Complexity | 279 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 230.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.238g/mol |
| Monoisotopic Mass | 230.074g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number