| CAS Number | 1375068-96-4 |
| Catalog Number | AG006ZGE(AGN-PC-0WA3CS) |
| Chemical Name | [4-(2-Fluoro-5-methylphenyl)phenyl]acetic acid |
| IUPAC Name | 2-[4-(2-fluoro-5-methylphenyl)phenyl]acetic acid |
| InChI | InChI=1S/C15H13FO2/c1-10-2-7-14(16)13(8-10)12-5-3-11(4-6-12)9-15(17)18/h2-8H,9H2,1H3,(H,17,18) |
| InChI Key | VUMXAADANLEPKA-UHFFFAOYSA-N |
| MDL Number | MFCD22205791 |
| Molecular Formula | C15H13FO2 |
| Molecular Weight | 244.2609 |
| SMILES | OC(=O)Cc1ccc(cc1)c1cc(C)ccc1F |
| Synonyms | [4-(2-Fluoro-5-methylphenyl)phenyl]acetic acid,
1375068-96-4,
ACMC-209cdc,
CTK8B0656,
DTXSID50742988,
ANW-20302,
MFCD22205791,
ZINC85477227,
TC-109047,
V2747,
B-8650,
(2'-Fluoro-5'-methyl[1,1'-biphenyl]-4-yl)acetic acid,
C15H13FO2,
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| Complexity | 284 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 244.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 244.265g/mol |
| Monoisotopic Mass | 244.09g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
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Certificate of Analysis
Lot Number