4-Fluoro-3-(3-methoxyphenyl)benzoic acid - CAS 1181452-19-6
Catalog: |
BB064880 |
Product Name: |
4-Fluoro-3-(3-methoxyphenyl)benzoic acid |
CAS: |
1181452-19-6 |
Synonyms: |
4-FLUORO-3-(3-METHOXYPHENYL)BENZOIC ACID; 6-Fluoro-3'-methoxy-[1,1'-biphenyl]-3-carboxylic acid; 6-Fluoro-3'-methoxy-[1,1'-biphenyl]-3-carboxylicacid |
IUPAC Name: | 4-fluoro-3-(3-methoxyphenyl)benzoic acid |
Description: | 4-Fluoro-3-(3-methoxyphenyl)benzoic acid |
Molecular Weight: | 246.23 |
Molecular Formula: | C14H11FO3 |
Canonical SMILES: | COC1=CC=CC(=C1)C2=C(C=CC(=C2)C(=O)O)F |
InChI: | InChI=1S/C14H11FO3/c1-18-11-4-2-3-9(7-11)12-8-10(14(16)17)5-6-13(12)15/h2-8H,1H3,(H,16,17) |
InChI Key: | BBTQVQXPEYUIRD-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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