4-(3-Carboxy-5-fluorophenyl)-2-fluorobenzoic acid - CAS 1261978-52-2
Catalog: |
BB070599 |
Product Name: |
4-(3-Carboxy-5-fluorophenyl)-2-fluorobenzoic acid |
CAS: |
1261978-52-2 |
Synonyms: |
3',5-Difluoro-[1,1'-biphenyl]-3,4'-dicarboxylic acid; 4-(3-CARBOXY-5-FLUOROPHENYL)-2-FLUOROBENZOIC ACID; 3',5-Difluoro-[1,1'-biphenyl]-3,4'-dicarboxylicacid |
IUPAC Name: | 4-(3-carboxy-5-fluorophenyl)-2-fluorobenzoic acid |
Description: | 4-(3-Carboxy-5-fluorophenyl)-2-fluorobenzoic acid |
Molecular Weight: | 278.21 |
Molecular Formula: | C14H8F2O4 |
Canonical SMILES: | C1=CC(=C(C=C1C2=CC(=CC(=C2)F)C(=O)O)F)C(=O)O |
InChI: | InChI=1S/C14H8F2O4/c15-10-4-8(3-9(5-10)13(17)18)7-1-2-11(14(19)20)12(16)6-7/h1-6H,(H,17,18)(H,19,20) |
InChI Key: | IGQUFUDCEOBZLV-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: | 2.8 |
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