| CAS Number | 1261912-57-5 |
| Catalog Number | AG009WU5 |
| Chemical Name | 2-Fluoro-5-(3-methoxycarbonylphenyl)benzoic acid |
| IUPAC Name | 2-fluoro-5-(3-methoxycarbonylphenyl)benzoic acid |
| InChI | InChI=1S/C15H11FO4/c1-20-15(19)11-4-2-3-9(7-11)10-5-6-13(16)12(8-10)14(17)18/h2-8H,1H3,(H,17,18) |
| InChI Key | VRYBPUPIUUFJBQ-UHFFFAOYSA-N |
| MDL Number | MFCD18321202 |
| Molecular Formula | C15H11FO4 |
| Molecular Weight | 274.2438 |
| SMILES | COC(=O)c1cccc(c1)c1ccc(c(c1)C(=O)O)F |
| Synonyms | 2-FLUORO-5-(3-METHOXYCARBONYLPHENYL)BENZOIC ACID,
1261912-57-5,
DTXSID70690679,
MFCD18321202,
ZINC65351509,
AKOS026672609,
Z9132,
4-Fluoro-3'-(methoxycarbonyl)[1,1'-biphenyl]-3-carboxylic acid,
C15H11FO4,
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| Complexity | 371 |
| 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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 274.247g/mol |
| Monoisotopic Mass | 274.064g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 63.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
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Certificate of Analysis
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