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Home > Fluorides > 757235-54-4
757235-54-4 | 2H-Pyran-3-carbonitrile, 6-(4-fluorophenyl)-2-oxo-4-(1-piperidinyl)-
CAS No: 757235-54-4 Catalog No: AG005IQV MDL No:
Product Description
Catalog Number:
AG005IQV
Chemical Name:
2H-Pyran-3-carbonitrile, 6-(4-fluorophenyl)-2-oxo-4-(1-piperidinyl)-
CAS Number:
757235-54-4
Molecular Formula:
C17H15FN2O2
Molecular Weight:
298.3116
IUPAC Name:
6-(4-fluorophenyl)-2-oxo-4-piperidin-1-ylpyran-3-carbonitrile
InChI:
InChI=1S/C17H15FN2O2/c18-13-6-4-12(5-7-13)16-10-15(14(11-19)17(21)22-16)20-8-2-1-3-9-20/h4-7,10H,1-3,8-9H2
InChI Key:
NTBDXFQJTVNECI-UHFFFAOYSA-N
SMILES:
N#Cc1c(=O)oc(cc1N1CCCCC1)c1ccc(cc1)F
Properties
Complexity:
559
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.112g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
298.317g/mol
Monoisotopic Mass:
298.112g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
53.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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