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81851-18-5 | Pyridine, 2-[[[3-(trifluoromethyl)phenyl]thio]methyl]-
CAS No: 81851-18-5 Catalog No: AG005098 MDL No:
Product Description
Catalog Number:
AG005098
Chemical Name:
Pyridine, 2-[[[3-(trifluoromethyl)phenyl]thio]methyl]-
CAS Number:
81851-18-5
Molecular Formula:
C13H10F3NS
Molecular Weight:
269.2854
IUPAC Name:
2-[[3-(trifluoromethyl)phenyl]sulfanylmethyl]pyridine
InChI:
InChI=1S/C13H10F3NS/c14-13(15,16)10-4-3-6-12(8-10)18-9-11-5-1-2-7-17-11/h1-8H,9H2
InChI Key:
HFZDGHIPCQSBGM-UHFFFAOYSA-N
SMILES:
FC(c1cccc(c1)SCc1ccccn1)(F)F
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.049g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.285g/mol
Monoisotopic Mass:
269.049g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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