| CAS Number | 1355247-36-7 |
| Catalog Number | AG007LDU(AGN-PC-0J2C4E) |
| Chemical Name | 2-(2-Carboxyphenyl)-5-fluorobenzoic acid |
| IUPAC Name | 2-(2-carboxyphenyl)-5-fluorobenzoic acid |
| InChI | InChI=1S/C14H9FO4/c15-8-5-6-10(12(7-8)14(18)19)9-3-1-2-4-11(9)13(16)17/h1-7H,(H,16,17)(H,18,19) |
| InChI Key | DNUOREFJMRMMKI-UHFFFAOYSA-N |
| MDL Number | MFCD21332946 |
| Molecular Formula | C14H9FO4 |
| Molecular Weight | 260.2173 |
| SMILES | Fc1ccc(c(c1)C(=O)O)c1ccccc1C(=O)O |
| Synonyms | 2-(2-Carboxyphenyl)-5-fluorobenzoic acid,
1355247-36-7,
ACMC-209c1v,
CTK8B0385,
DTXSID10742762,
ANW-19889,
MFCD21332946,
ZINC85476879,
TC-108634,
Z9971,
K-4302,
4-Fluoro[1,1'-biphenyl]-2,2'-dicarboxylic acid,
C14H9FO4,
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| Complexity | 357 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 260.048g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 260.22g/mol |
| Monoisotopic Mass | 260.048g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 74.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number