| CAS Number | 1355247-84-5 |
| Catalog Number | AG009WL1(AGN-PC-0WA3CL) |
| Chemical Name | [3-(3-Fluoro-4-methylphenyl)phenyl]acetic acid |
| IUPAC Name | 2-[3-(3-fluoro-4-methylphenyl)phenyl]acetic acid |
| InChI | InChI=1S/C15H13FO2/c1-10-5-6-13(9-14(10)16)12-4-2-3-11(7-12)8-15(17)18/h2-7,9H,8H2,1H3,(H,17,18) |
| InChI Key | VVLAWNDLVRTUDS-UHFFFAOYSA-N |
| MDL Number | MFCD21332997 |
| Molecular Formula | C15H13FO2 |
| Molecular Weight | 244.2609 |
| SMILES | OC(=O)Cc1cccc(c1)c1ccc(c(c1)F)C |
| Synonyms | [3-(3-Fluoro-4-methylphenyl)phenyl]acetic acid,
1355247-84-5,
ACMC-209c2m,
CTK8B0411,
DTXSID30742789,
ANW-19916,
MFCD21332997,
ZINC85476924,
TC-108661,
Z9997,
B-8559,
(3'-Fluoro-4'-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