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89451-46-7 | 3-Pyridinecarbonitrile, 4-(4-fluorophenyl)-1,2-dihydro-6-phenyl-2-thioxo-
CAS No: 89451-46-7 Catalog No: AG00448E MDL No:
Product Description
Catalog Number:
AG00448E
Chemical Name:
3-Pyridinecarbonitrile, 4-(4-fluorophenyl)-1,2-dihydro-6-phenyl-2-thioxo-
CAS Number:
89451-46-7
Molecular Formula:
C18H11FN2S
Molecular Weight:
306.3567
IUPAC Name:
4-(4-fluorophenyl)-6-phenyl-2-sulfanylidene-1H-pyridine-3-carbonitrile
InChI:
InChI=1S/C18H11FN2S/c19-14-8-6-12(7-9-14)15-10-17(13-4-2-1-3-5-13)21-18(22)16(15)11-20/h1-10H,(H,21,22)
InChI Key:
YFHYIQHJEVCCFM-UHFFFAOYSA-N
SMILES:
N#Cc1c(=S)[nH]c(cc1c1ccc(cc1)F)c1ccccc1
Properties
Complexity:
555
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.063g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
306.358g/mol
Monoisotopic Mass:
306.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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