3-Fluoro-4-(4-methoxyphenyl)benzoic acid - CAS 1261892-86-7
Catalog: |
BB064903 |
Product Name: |
3-Fluoro-4-(4-methoxyphenyl)benzoic acid |
CAS: |
1261892-86-7 |
Synonyms: |
3-FLUORO-4-(4-METHOXYPHENYL)BENZOIC ACID; 2-Fluoro-4'-methoxy-[1,1'-biphenyl]-4-carboxylic acid; 2-Fluoro-4'-methoxy-[1,1'-biphenyl]-4-carboxylicacid |
IUPAC Name: | 3-fluoro-4-(4-methoxyphenyl)benzoic acid |
Description: | 3-Fluoro-4-(4-methoxyphenyl)benzoic acid |
Molecular Weight: | 246.23 |
Molecular Formula: | C14H11FO3 |
Canonical SMILES: | COC1=CC=C(C=C1)C2=C(C=C(C=C2)C(=O)O)F |
InChI: | InChI=1S/C14H11FO3/c1-18-11-5-2-9(3-6-11)12-7-4-10(14(16)17)8-13(12)15/h2-8H,1H3,(H,16,17) |
InChI Key: | QKIRDCPNZXELCV-UHFFFAOYSA-N |
Complexity: | 287 |
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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