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117482-71-0 | 1,3,5-Triazine, 2-[4-(methylthio)phenyl]-4,6-bis(trichloromethyl)-
CAS No: 117482-71-0 Catalog No: AG000ECJ MDL No:
Product Description
Catalog Number:
AG000ECJ
Chemical Name:
1,3,5-Triazine, 2-[4-(methylthio)phenyl]-4,6-bis(trichloromethyl)-
CAS Number:
117482-71-0
Molecular Formula:
C12H7Cl6N3S
Molecular Weight:
437.9871
IUPAC Name:
2-(4-methylsulfanylphenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine
InChI:
InChI=1S/C12H7Cl6N3S/c1-22-7-4-2-6(3-5-7)8-19-9(11(13,14)15)21-10(20-8)12(16,17)18/h2-5H,1H3
InChI Key:
OZIUQIJHFBCZBX-UHFFFAOYSA-N
SMILES:
CSc1ccc(cc1)c1nc(nc(n1)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
436.846g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
437.969g/mol
Monoisotopic Mass:
434.849g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
64A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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