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30356-69-5 | 1,3,5-Triazin-2-amine, N-2-thiazolyl-4,6-bis(trichloromethyl)-
CAS No: 30356-69-5 Catalog No: AG002ZUD MDL No:
Product Description
Catalog Number:
AG002ZUD
Chemical Name:
1,3,5-Triazin-2-amine, N-2-thiazolyl-4,6-bis(trichloromethyl)-
CAS Number:
30356-69-5
Molecular Formula:
C8H3Cl6N5S
Molecular Weight:
413.9259
IUPAC Name:
N-[4,6-bis(trichloromethyl)-1,3,5-triazin-2-yl]-1,3-thiazol-2-amine
InChI:
InChI=1S/C8H3Cl6N5S/c9-7(10,11)3-16-4(8(12,13)14)18-5(17-3)19-6-15-1-2-20-6/h1-2H,(H,15,16,17,18,19)
InChI Key:
XFQKFUFIUYATKJ-UHFFFAOYSA-N
SMILES:
ClC(c1nc(Nc2nccs2)nc(n1)C(Cl)(Cl)Cl)(Cl)Cl
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
412.821g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
413.907g/mol
Monoisotopic Mass:
410.824g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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