2-Fluoro-5'-methoxybiphenyl-3',4-dicarboxylic acid - CAS 1381944-79-1
Catalog: |
BB065004 |
Product Name: |
2-Fluoro-5'-methoxybiphenyl-3',4-dicarboxylic acid |
CAS: |
1381944-79-1 |
Synonyms: |
2-Fluoro-5'-methoxybiphenyl-3',4-dicarboxylic acid; 4-(3-carboxy-5-methoxyphenyl)-3-fluorobenzoic acid |
IUPAC Name: | 4-(3-carboxy-5-methoxyphenyl)-3-fluorobenzoic acid |
Description: | 2-Fluoro-5'-methoxybiphenyl-3',4-dicarboxylic acid |
Molecular Weight: | 290.24 |
Molecular Formula: | C15H11FO5 |
Canonical SMILES: | COC1=CC(=CC(=C1)C(=O)O)C2=C(C=C(C=C2)C(=O)O)F |
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 |
Complexity: | 400 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 290.05905161 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 290.05905161 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 83.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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