4-(2,4-Difluorophenyl)picolinic acid - CAS 1258626-21-9
Catalog: |
BB067579 |
Product Name: |
4-(2,4-Difluorophenyl)picolinic acid |
CAS: |
1258626-21-9 |
Synonyms: |
4-(2,4-Difluorophenyl)picolinic acid; 4-(2,4-DIFLUOROPHENYL)PYRIDINE-2-CARBOXYLIC ACID; 4-(2,4-Difluorophenyl)picolinicacid |
IUPAC Name: | 4-(2,4-difluorophenyl)pyridine-2-carboxylic acid |
Description: | 4-(2,4-Difluorophenyl)picolinic acid |
Molecular Weight: | 235.18 |
Molecular Formula: | C12H7F2NO2 |
Canonical SMILES: | C1=CC(=C(C=C1F)F)C2=CC(=NC=C2)C(=O)O |
InChI: | InChI=1S/C12H7F2NO2/c13-8-1-2-9(10(14)6-8)7-3-4-15-11(5-7)12(16)17/h1-6H,(H,16,17) |
InChI Key: | YWDILFQLNVGMGN-UHFFFAOYSA-N |
Complexity: | 288 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 235.04448479 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 235.04448479 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 50.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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