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16097-63-5 | Pyrimidine, 4-chloro-2-(methylthio)-6-(trifluoromethyl)-
CAS No: 16097-63-5 Catalog No: AG001VKT MDL No:MFCD00269080
Product Description
Catalog Number:
AG001VKT
Chemical Name:
Pyrimidine, 4-chloro-2-(methylthio)-6-(trifluoromethyl)-
CAS Number:
16097-63-5
Molecular Formula:
C6H4ClF3N2S
Molecular Weight:
228.6226
MDL Number:
MFCD00269080
IUPAC Name:
4-chloro-2-methylsulfanyl-6-(trifluoromethyl)pyrimidine
InChI:
InChI=1S/C6H4ClF3N2S/c1-13-5-11-3(6(8,9)10)2-4(7)12-5/h2H,1H3
InChI Key:
GOORQLLDZBAQIW-UHFFFAOYSA-N
SMILES:
CSc1nc(Cl)cc(n1)C(F)(F)F
NSC Number:
64344
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.974g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.617g/mol
Monoisotopic Mass:
227.974g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
51.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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