4-(2,4-Dimethoxyphenyl)-2-fluorobenzoic acid - CAS 1179916-77-8
Catalog: |
BB066849 |
Product Name: |
4-(2,4-Dimethoxyphenyl)-2-fluorobenzoic acid |
CAS: |
1179916-77-8 |
Synonyms: |
4-(2,4-DIMETHOXYPHENYL)-2-FLUOROBENZOIC ACID; 3-Fluoro-2',4'-dimethoxy-[1,1'-biphenyl]-4-carboxylic acid; 3-Fluoro-2',4'-dimethoxy-[1,1'-biphenyl]-4-carboxylicacid |
IUPAC Name: | 4-(2,4-dimethoxyphenyl)-2-fluorobenzoic acid |
Description: | 4-(2,4-Dimethoxyphenyl)-2-fluorobenzoic acid |
Molecular Weight: | 276.26 |
Molecular Formula: | C15H13FO4 |
Canonical SMILES: | COC1=CC(=C(C=C1)C2=CC(=C(C=C2)C(=O)O)F)OC |
InChI: | InChI=1S/C15H13FO4/c1-19-10-4-6-11(14(8-10)20-2)9-3-5-12(15(17)18)13(16)7-9/h3-8H,1-2H3,(H,17,18) |
InChI Key: | HFJLKBVMJKCGKL-UHFFFAOYSA-N |
Complexity: | 336 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 276.07978705 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 276.07978705 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 55.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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