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1160995-02-7 | 2-Chloro-6-ethylthio-4-(trifluoromethyl)-pyridine
CAS No: 1160995-02-7 Catalog No: AG01F96F MDL No:
Product Description
Catalog Number:
AG01F96F
Chemical Name:
2-Chloro-6-ethylthio-4-(trifluoromethyl)-pyridine
CAS Number:
1160995-02-7
Molecular Formula:
C8H7ClF3NS
Molecular Weight:
241.6611
IUPAC Name:
2-chloro-6-ethylsulfanyl-4-(trifluoromethyl)pyridine
InChI:
InChI=1S/C8H7ClF3NS/c1-2-14-7-4-5(8(10,11)12)3-6(9)13-7/h3-4H,2H2,1H3
InChI Key:
DVTZMNVPTUFPIT-UHFFFAOYSA-N
SMILES:
CCSc1nc(Cl)cc(c1)C(F)(F)F
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.994g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.656g/mol
Monoisotopic Mass:
240.994g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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