6-(3-Fluoro-4-methylphenyl)picolinic acid - CAS 1261904-70-4
Catalog: |
BB064938 |
Product Name: |
6-(3-Fluoro-4-methylphenyl)picolinic acid |
CAS: |
1261904-70-4 |
Synonyms: |
6-(3-Fluoro-4-methylphenyl)picolinic acid; 6-(3-fluoro-4-methylphenyl)pyridine-2-carboxylic acid; 6-(3-Fluoro-4-methylphenyl)picolinicacid |
IUPAC Name: | 6-(3-fluoro-4-methylphenyl)pyridine-2-carboxylic acid |
Description: | 6-(3-Fluoro-4-methylphenyl)picolinic acid |
Molecular Weight: | 231.22 |
Molecular Formula: | C13H10FNO2 |
Canonical SMILES: | CC1=C(C=C(C=C1)C2=NC(=CC=C2)C(=O)O)F |
InChI: | InChI=1S/C13H10FNO2/c1-8-5-6-9(7-10(8)14)11-3-2-4-12(15-11)13(16)17/h2-7H,1H3,(H,16,17) |
InChI Key: | SSMDRGRPDSFUDA-UHFFFAOYSA-N |
Complexity: | 285 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 231.06955672 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 231.06955672 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 50.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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