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113382-82-4 | Pyridine, difluorotris(phenylthio)- (9CI)
CAS No: 113382-82-4 Catalog No: AG0008D3 MDL No:
Product Description
Catalog Number:
AG0008D3
Chemical Name:
Pyridine, difluorotris(phenylthio)- (9CI)
CAS Number:
113382-82-4
Molecular Formula:
C23H15F2NS3
Molecular Weight:
439.5637
IUPAC Name:
2,3-difluoro-4,5,6-tris(phenylsulfanyl)pyridine
InChI:
InChI=1S/C23H15F2NS3/c24-19-20(27-16-10-4-1-5-11-16)21(28-17-12-6-2-7-13-17)23(26-22(19)25)29-18-14-8-3-9-15-18/h1-15H
InChI Key:
JOSRUQVEOIRNOC-UHFFFAOYSA-N
SMILES:
Fc1c(F)nc(c(c1Sc1ccccc1)Sc1ccccc1)Sc1ccccc1
Properties
Complexity:
479
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
439.033g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
439.557g/mol
Monoisotopic Mass:
439.033g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
88.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.9
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