5-Fluoro-3-(2-methoxyphenyl)benzoic acid - CAS 1261924-27-9
Catalog: |
BB063464 |
Product Name: |
5-Fluoro-3-(2-methoxyphenyl)benzoic acid |
CAS: |
1261924-27-9 |
Synonyms: |
5-FLUORO-3-(2-METHOXYPHENYL)BENZOIC ACID; 3-fluoro-5-(2-methoxyphenyl)benzoic acid; 5-FLUORO-3-(2-METHOXYPHENYL)BENZOICACID |
IUPAC Name: | 3-fluoro-5-(2-methoxyphenyl)benzoic acid |
Description: | 5-Fluoro-3-(2-methoxyphenyl)benzoic acid |
Molecular Weight: | 246.23 |
Molecular Formula: | C14H11FO3 |
Canonical SMILES: | COC1=CC=CC=C1C2=CC(=CC(=C2)F)C(=O)O |
InChI: | InChI=1S/C14H11FO3/c1-18-13-5-3-2-4-12(13)9-6-10(14(16)17)8-11(15)7-9/h2-8H,1H3,(H,16,17) |
InChI Key: | ZFJOWXOXIMCDGE-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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