3-(4-Fluorophenyl)picolinic acid - CAS 1192608-90-4
Catalog: |
BB064700 |
Product Name: |
3-(4-Fluorophenyl)picolinic acid |
CAS: |
1192608-90-4 |
Synonyms: |
3-(4-Fluorophenyl)picolinic acid; 3-(4-fluorophenyl)pyridine-2-carboxylic acid |
IUPAC Name: | 3-(4-fluorophenyl)pyridine-2-carboxylic acid |
Description: | 3-(4-Fluorophenyl)picolinic acid |
Molecular Weight: | 217.2 |
Molecular Formula: | C12H8FNO2 |
Canonical SMILES: | C1=CC(=C(N=C1)C(=O)O)C2=CC=C(C=C2)F |
InChI: | InChI=1S/C12H8FNO2/c13-9-5-3-8(4-6-9)10-2-1-7-14-11(10)12(15)16/h1-7H,(H,15,16) |
InChI Key: | XBHRQJLIWJGHMP-UHFFFAOYSA-N |
Complexity: | 251 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 217.05390666 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 217.05390666 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 50.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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