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81851-09-4 | Pyridine, 2-[[(pentafluorophenyl)sulfinyl]methyl]-
CAS No: 81851-09-4 Catalog No: AG005HTE MDL No:
Product Description
Catalog Number:
AG005HTE
Chemical Name:
Pyridine, 2-[[(pentafluorophenyl)sulfinyl]methyl]-
CAS Number:
81851-09-4
Molecular Formula:
C12H6F5NOS
Molecular Weight:
307.2392
IUPAC Name:
2-[(2,3,4,5,6-pentafluorophenyl)sulfinylmethyl]pyridine
InChI:
InChI=1S/C12H6F5NOS/c13-7-8(14)10(16)12(11(17)9(7)15)20(19)5-6-3-1-2-4-18-6/h1-4H,5H2
InChI Key:
VYSLJJPACMPVKA-UHFFFAOYSA-N
SMILES:
O=S(c1c(F)c(F)c(c(c1F)F)F)Cc1ccccn1
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.009g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
307.238g/mol
Monoisotopic Mass:
307.009g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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