| CAS Number | 543741-43-1 |
| Catalog Number | AG019EWK(AGN-PC-004URU) |
| Chemical Name | 2-(2-(4-Fluorobenzyl)phenyl)acetic acid |
| IUPAC Name | 2-[2-[(4-fluorophenyl)methyl]phenyl]acetic acid |
| InChI | InChI=1S/C15H13FO2/c16-14-7-5-11(6-8-14)9-12-3-1-2-4-13(12)10-15(17)18/h1-8H,9-10H2,(H,17,18) |
| InChI Key | SUIOLLGUOHLBPS-UHFFFAOYSA-N |
| MDL Number | MFCD28387783 |
| Molecular Formula | C15H13FO2 |
| Molecular Weight | 244.2609 |
| SMILES | OC(=O)Cc1ccccc1Cc1ccc(F)cc1 |
| Synonyms | 2-(2-(4-Fluorobenzyl)phenyl)acetic acid,
543741-43-1,
SCHEMBL4867292,
SUIOLLGUOHLBPS-UHFFFAOYSA-N,
MFCD28387783,
AKOS027430207,
ZINC137278125,
[2-(4-fluoro-benzyl)-phenyl]-acetic acid,
CS-0035723,
CID11230288,
2-[2-[(4-fluorophenyl)methyl]phenyl]acetic Acid,
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| Complexity | 272 |
| 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 | 4 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number