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Home > Fluorides > 114433-95-3
114433-95-3 | Pyridine, 2-[5-(4-fluorophenyl)-3-(1-methylethyl)-1H-pyrazol-1-yl]-
CAS No: 114433-95-3 Catalog No: AG000BBT MDL No:
Product Description
Catalog Number:
AG000BBT
Chemical Name:
Pyridine, 2-[5-(4-fluorophenyl)-3-(1-methylethyl)-1H-pyrazol-1-yl]-
CAS Number:
114433-95-3
Molecular Formula:
C17H16FN3
Molecular Weight:
281.3274
IUPAC Name:
2-[5-(4-fluorophenyl)-3-propan-2-ylpyrazol-1-yl]pyridine
InChI:
InChI=1S/C17H16FN3/c1-12(2)15-11-16(13-6-8-14(18)9-7-13)21(20-15)17-5-3-4-10-19-17/h3-12H,1-2H3
InChI Key:
WZSKGTUKVJBUEG-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)c1cc(nn1c1ccccn1)C(C)C
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.133g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
281.334g/mol
Monoisotopic Mass:
281.133g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
30.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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