3-(4-Carboxy-3-fluorophenyl)-4-fluorobenzoic Acid - CAS 1262001-65-9
Catalog: |
BB070588 |
Product Name: |
3-(4-Carboxy-3-fluorophenyl)-4-fluorobenzoic Acid |
CAS: |
1262001-65-9 |
Synonyms: |
3-(4-CARBOXY-3-FLUOROPHENYL)-4-FLUOROBENZOIC ACID; 4-(5-carboxy-2-fluorophenyl)-2-fluorobenzoic acid; 3',6-Difluoro[1,1'-biphenyl]-3,4'-dicarboxylic acid; 3-(4-CARBOXY-3-FLUOROPHENYL)-4-FLUOROBENZOICACID |
IUPAC Name: | 4-(5-carboxy-2-fluorophenyl)-2-fluorobenzoic acid |
Molecular Weight: | 278.21 |
Molecular Formula: | C14H8F2O4 |
Canonical SMILES: | C1=CC(=C(C=C1C2=C(C=CC(=C2)C(=O)O)F)F)C(=O)O |
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 |
Complexity: | 387 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 278.03906506 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 278.03906506 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 74.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.8 |
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