2-Fluoro-4-(3-methoxyphenyl)benzoic acid - CAS 1178418-69-3
Catalog: |
BB064879 |
Product Name: |
2-Fluoro-4-(3-methoxyphenyl)benzoic acid |
CAS: |
1178418-69-3 |
Synonyms: |
2-FLUORO-4-(3-METHOXYPHENYL)BENZOIC ACID; 3-Fluoro-3'-methoxy-[1,1'-biphenyl]-4-carboxylic acid; 3-Fluoro-3'-methoxy-[1,1'-biphenyl]-4-carboxylicacid |
IUPAC Name: | 2-fluoro-4-(3-methoxyphenyl)benzoic acid |
Description: | 2-Fluoro-4-(3-methoxyphenyl)benzoic acid |
Molecular Weight: | 246.23 |
Molecular Formula: | C14H11FO3 |
Canonical SMILES: | COC1=CC=CC(=C1)C2=CC(=C(C=C2)C(=O)O)F |
InChI: | InChI=1S/C14H11FO3/c1-18-11-4-2-3-9(7-11)10-5-6-12(14(16)17)13(15)8-10/h2-8H,1H3,(H,16,17) |
InChI Key: | VHRFTWCJVBOWOZ-UHFFFAOYSA-N |
Complexity: | 295 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 246.06922237 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 246.06922237 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 46.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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