2-Fluoro-4-(6-methoxypyridin-3-yl)benzoic acid - CAS 370864-61-2
Catalog: |
BB065014 |
Product Name: |
2-Fluoro-4-(6-methoxypyridin-3-yl)benzoic acid |
CAS: |
370864-61-2 |
Synonyms: |
2-Fluoro-4-(6-methoxypyridin-3-yl)benzoic acid; 2-Fluoro-4-(6-methoxypyridin-3-yl)benzoicacid |
IUPAC Name: | 2-fluoro-4-(6-methoxypyridin-3-yl)benzoic acid |
Description: | 2-Fluoro-4-(6-methoxypyridin-3-yl)benzoic acid |
Molecular Weight: | 247.22 |
Molecular Formula: | C13H10FNO3 |
Canonical SMILES: | COC1=NC=C(C=C1)C2=CC(=C(C=C2)C(=O)O)F |
InChI: | InChI=1S/C13H10FNO3/c1-18-12-5-3-9(7-15-12)8-2-4-10(13(16)17)11(14)6-8/h2-7H,1H3,(H,16,17) |
InChI Key: | KWZDUJBEZOVBRB-UHFFFAOYSA-N |
Complexity: | 300 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 247.06447134 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 247.06447134 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 59.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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