| CAS Number | 1262001-65-9 |
| Catalog Number | AG000SCA(AGN-PC-0WA7DA) |
| Chemical Name | 3-(4-Carboxy-3-fluorophenyl)-4-fluorobenzoic acid |
| IUPAC Name | 4-(5-carboxy-2-fluorophenyl)-2-fluorobenzoic acid |
| InChI | InChI=1S/C14H8F2O4/c15-11-4-2-8(13(17)18)5-10(11)7-1-3-9(14(19)20)12(16)6-7/h1-6H,(H,17,18)(H,19,20) |
| InChI Key | VPFAKFBPOOESHC-UHFFFAOYSA-N |
| MDL Number | MFCD18321499 |
| Molecular Formula | C14H8F2O4 |
| Molecular Weight | 278.2077 |
| SMILES | Fc1ccc(cc1c1ccc(c(c1)F)C(=O)O)C(=O)O |
| Synonyms | 3-(4-CARBOXY-3-FLUOROPHENYL)-4-FLUOROBENZOIC ACID,
1262001-65-9,
ACMC-209bag,
CTK8A9902,
DTXSID80690928,
ANW-18902,
MFCD18321499,
ZINC65354005,
AKOS026672668,
TC-107647,
Z9299,
3',6-Difluoro[1,1'-biphenyl]-3,4'-dicarboxylic acid,
[1,1'-Biphenyl]-3,4'-dicarboxylic acid, 3',6-difluoro-,
C14H8F2O4,
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| Complexity | 387 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 278.039g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 278.211g/mol |
| Monoisotopic Mass | 278.039g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 74.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number