| CAS Number | 1381944-58-6 |
| Catalog Number | AG00186N(AGN-PC-0J2CCE) |
| Chemical Name | 3-(3-Carboxyphenyl)-2-fluorobenzoic acid |
| IUPAC Name | 3-(3-carboxyphenyl)-2-fluorobenzoic acid |
| InChI | InChI=1S/C14H9FO4/c15-12-10(5-2-6-11(12)14(18)19)8-3-1-4-9(7-8)13(16)17/h1-7H,(H,16,17)(H,18,19) |
| InChI Key | XZXZMPITUOCWCM-UHFFFAOYSA-N |
| MDL Number | MFCD22375068 |
| Molecular Formula | C14H9FO4 |
| Molecular Weight | 260.2173 |
| SMILES | OC(=O)c1cccc(c1)c1cccc(c1F)C(=O)O |
| Synonyms | 3-(3-Carboxyphenyl)-2-fluorobenzoic acid,
1381944-58-6,
ACMC-209cgc,
CTK8B0726,
DTXSID20743048,
ANW-20410,
MFCD22375068,
ZINC85477307,
AKOS026673128,
TC-109155,
V2831,
2-Fluoro[1,1'-biphenyl]-3,3'-dicarboxylic acid,
[1,1'-Biphenyl]-3,3'-dicarboxylic acid, 2-fluoro-,
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 | 2.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number