| CAS Number | 1352318-21-8 |
| Catalog Number | AG006ZCF(AGN-PC-0WA7EO) |
| Chemical Name | 3-(4-Fluoro-3-methylphenyl)phenylacetic acid |
| IUPAC Name | 2-[3-(4-fluoro-3-methylphenyl)phenyl]acetic acid |
| InChI | InChI=1S/C15H13FO2/c1-10-7-13(5-6-14(10)16)12-4-2-3-11(8-12)9-15(17)18/h2-8H,9H2,1H3,(H,17,18) |
| InChI Key | RMAXSBLCFRGNIC-UHFFFAOYSA-N |
| MDL Number | MFCD20529507 |
| Molecular Formula | C15H13FO2 |
| Molecular Weight | 244.2609 |
| SMILES | OC(=O)Cc1cccc(c1)c1ccc(c(c1)C)F |
| Synonyms | 3-(4-fluoro-3-methylphenyl)phenylacetic acid,
1352318-21-8,
ACMC-209byo,
CTK8B0294,
DTXSID50718406,
ANW-19774,
MFCD20529507,
ZINC74937848,
AKOS026672782,
TC-108519,
Z9861,
B-8558,
(4'-Fluoro-3'-methyl[1,1'-biphenyl]-3-yl)acetic acid,
C15H13FO2,
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| Complexity | 292 |
| 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 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number