| CAS Number | 1345472-27-6 |
| Catalog Number | AG009WM1 |
| Chemical Name | 5-[4-(Carboxymethyl)phenyl]-2-fluorobenzoic acid |
| IUPAC Name | 5-[4-(carboxymethyl)phenyl]-2-fluorobenzoic acid |
| InChI | InChI=1S/C15H11FO4/c16-13-6-5-11(8-12(13)15(19)20)10-3-1-9(2-4-10)7-14(17)18/h1-6,8H,7H2,(H,17,18)(H,19,20) |
| InChI Key | VGYUEFJQGUTBNZ-UHFFFAOYSA-N |
| MDL Number | MFCD20441957 |
| Molecular Formula | C15H11FO4 |
| Molecular Weight | 274.2438 |
| SMILES | OC(=O)Cc1ccc(cc1)c1ccc(c(c1)C(=O)O)F |
| Synonyms | 5-[4-(Carboxymethyl)phenyl]-2-fluorobenzoic acid,
1345472-27-6,
ACMC-209bw3,
CTK8B0262,
DTXSID90718581,
ANW-19681,
MFCD20441957,
ZINC74938335,
TC-108426,
Z9809,
K-4255,
4'-(Carboxymethyl)-4-fluoro[1,1'-biphenyl]-3-carboxylic acid,
C15H11FO4,
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| Complexity | 363 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 274.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 274.247g/mol |
| Monoisotopic Mass | 274.064g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 74.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number