| CAS Number | 1215206-80-6 |
| Catalog Number | AG001586(AGN-PC-0WA6QX) |
| Chemical Name | 2'-Fluoro-6'-methylbiphenyl-3-carboxylic acid |
| IUPAC Name | 3-(2-fluoro-6-methylphenyl)benzoic acid |
| InChI | InChI=1S/C14H11FO2/c1-9-4-2-7-12(15)13(9)10-5-3-6-11(8-10)14(16)17/h2-8H,1H3,(H,16,17) |
| InChI Key | WEFSCTPLVWIRNQ-UHFFFAOYSA-N |
| MDL Number | MFCD15143510 |
| Molecular Formula | C14H11FO2 |
| Molecular Weight | 230.2343 |
| SMILES | OC(=O)c1cccc(c1)c1c(C)cccc1F |
| Synonyms | 1215206-80-6,
2'-FLUORO-6'-METHYLBIPHENYL-3-CARBOXYLIC ACID,
2'-Fluoro-6'-methyl biphenyl-3-carboxylic acid,
CTK4B2510,
DTXSID10681788,
MFCD15143510,
ZINC65336948,
AKOS015853211,
TR-034635,
Z8416,
A-5498,
2'-Fluoro-6'-methyl[1,1'-biphenyl]-3-carboxylic acid,
[1,1'-Biphenyl]-3-carboxylic acid, 2'-fluoro-6'-methyl-,
C14H11FO2,
2-Fluoro-6-methylbiphenyl-3-carboxylic acid,
2/'-Fluoro-6/'-methylbiphenyl-3-carboxylic acid,
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| 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