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81851-12-9 | Pyridine, 2-[[[3-(trifluoromethyl)phenyl]sulfinyl]methyl]-
CAS No: 81851-12-9 Catalog No: AG008LB2 MDL No:
Product Description
Catalog Number:
AG008LB2
Chemical Name:
Pyridine, 2-[[[3-(trifluoromethyl)phenyl]sulfinyl]methyl]-
CAS Number:
81851-12-9
Molecular Formula:
C13H10F3NOS
Molecular Weight:
285.2848
IUPAC Name:
2-[[3-(trifluoromethyl)phenyl]sulfinylmethyl]pyridine
InChI:
InChI=1S/C13H10F3NOS/c14-13(15,16)10-4-3-6-12(8-10)19(18)9-11-5-1-2-7-17-11/h1-8H,9H2
InChI Key:
NPRAIQAYWJLERV-UHFFFAOYSA-N
SMILES:
O=S(c1cccc(c1)C(F)(F)F)Cc1ccccn1
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.044g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
285.284g/mol
Monoisotopic Mass:
285.044g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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