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81851-14-1 | Pyridine, 2-[[[3-(trifluoromethyl)phenyl]sulfinyl]methyl]-, hydrochloride
CAS No: 81851-14-1 Catalog No: AG005HTC MDL No:
Product Description
Catalog Number:
AG005HTC
Chemical Name:
Pyridine, 2-[[[3-(trifluoromethyl)phenyl]sulfinyl]methyl]-, hydrochloride
CAS Number:
81851-14-1
Molecular Formula:
C13H11ClF3NOS
Molecular Weight:
321.7457
IUPAC Name:
2-[[3-(trifluoromethyl)phenyl]sulfinylmethyl]pyridine;hydrochloride
InChI:
InChI=1S/C13H10F3NOS.ClH/c14-13(15,16)10-4-3-6-12(8-10)19(18)9-11-5-1-2-7-17-11;/h1-8H,9H2;1H
InChI Key:
NVFDFKZRDCWMEE-UHFFFAOYSA-N
SMILES:
O=S(c1cccc(c1)C(F)(F)F)Cc1ccccn1.Cl
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.02g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
321.742g/mol
Monoisotopic Mass:
321.02g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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