2-(4-Fluorophenyl)nicotinic acid - CAS 101419-78-7
Catalog: |
BB064715 |
Product Name: |
2-(4-Fluorophenyl)nicotinic acid |
CAS: |
101419-78-7 |
Synonyms: |
2-(4-FLUOROPHENYL)NICOTINIC ACID; 2-(4-Fluorophenyl)pyridine-3-carboxylic acid; 3-Pyridinecarboxylic acid, 2-(4-fluorophenyl)- |
IUPAC Name: | 2-(4-fluorophenyl)pyridine-3-carboxylic acid |
Description: | 2-(4-Fluorophenyl)nicotinic acid |
Molecular Weight: | 217.2 |
Molecular Formula: | C12H8FNO2 |
Canonical SMILES: | C1=CC(=C(N=C1)C2=CC=C(C=C2)F)C(=O)O |
InChI: | InChI=1S/C12H8FNO2/c13-9-5-3-8(4-6-9)11-10(12(15)16)2-1-7-14-11/h1-7H,(H,15,16) |
InChI Key: | ACGWDCZWNMSHNE-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: | 2.1 |
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