| CAS Number | 1381944-79-1 |
| Catalog Number | AG00187H(AGN-PC-0WA6Q5) |
| Chemical Name | 2-Fluoro-5'-methoxybiphenyl-3',4-dicarboxylic acid |
| IUPAC Name | 4-(3-carboxy-5-methoxyphenyl)-3-fluorobenzoic acid |
| InChI | InChI=1S/C15H11FO5/c1-21-11-5-9(4-10(6-11)15(19)20)12-3-2-8(14(17)18)7-13(12)16/h2-7H,1H3,(H,17,18)(H,19,20) |
| InChI Key | OTLALIDSXJHJRX-UHFFFAOYSA-N |
| MDL Number | MFCD22375048 |
| Molecular Formula | C15H11FO5 |
| Molecular Weight | 290.2432 |
| SMILES | COc1cc(cc(c1)c1ccc(cc1F)C(=O)O)C(=O)O |
| Synonyms | 2-Fluoro-5'-methoxybiphenyl-3',4-dicarboxylic acid,
1381944-79-1,
ACMC-209cgw,
CTK8B0746,
DTXSID60743067,
ANW-20430,
MFCD22375048,
ZINC85477333,
TC-109175,
V2851,
B-9663,
2'-Fluoro-5-methoxy[1,1'-biphenyl]-3,4'-dicarboxylic acid,
[1,1'-Biphenyl]-3,4'-dicarboxylic acid, 2'-fluoro-5-methoxy-,
C15H11FO5,
|
| Complexity | 400 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 290.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 290.246g/mol |
| Monoisotopic Mass | 290.059g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 83.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number