2-(4-Fluoro-3-methoxyphenyl)benzoic acid - CAS 1261915-12-1
Catalog: |
BB064908 |
Product Name: |
2-(4-Fluoro-3-methoxyphenyl)benzoic acid |
CAS: |
1261915-12-1 |
Synonyms: |
2-(4-FLUORO-3-METHOXYPHENYL)BENZOIC ACID; 4'-Fluoro-3'-methoxy-[1,1'-biphenyl]-2-carboxylic acid; 4/'-Fluoro-3/'-Methoxy-[1,1/'-biphenyl]-2-carboxylic acid; 4'-Fluoro-3'-methoxy-[1,1'-biphenyl]-2-carboxylicacid |
IUPAC Name: | 2-(4-fluoro-3-methoxyphenyl)benzoic acid |
Description: | 2-(4-Fluoro-3-methoxyphenyl)benzoic acid |
Molecular Weight: | 246.23 |
Molecular Formula: | C14H11FO3 |
Canonical SMILES: | COC1=C(C=CC(=C1)C2=CC=CC=C2C(=O)O)F |
InChI: | InChI=1S/C14H11FO3/c1-18-13-8-9(6-7-12(13)15)10-4-2-3-5-11(10)14(16)17/h2-8H,1H3,(H,16,17) |
InChI Key: | HWFIPKKNMKFBQA-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 |
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