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30355-69-2 | 1,3,5-Triazine-2,4-diamine, N2-phenyl-6-(trichloromethyl)-
CAS No: 30355-69-2 Catalog No: AG002ZUL MDL No:
Product Description
Catalog Number:
AG002ZUL
Chemical Name:
1,3,5-Triazine-2,4-diamine, N2-phenyl-6-(trichloromethyl)-
CAS Number:
30355-69-2
Molecular Formula:
C10H8Cl3N5
Molecular Weight:
304.5630
IUPAC Name:
2-N-phenyl-6-(trichloromethyl)-1,3,5-triazine-2,4-diamine
InChI:
InChI=1S/C10H8Cl3N5/c11-10(12,13)7-16-8(14)18-9(17-7)15-6-4-2-1-3-5-6/h1-5H,(H3,14,15,16,17,18)
InChI Key:
CHWDZKAWCKGTAT-UHFFFAOYSA-N
SMILES:
Nc1nc(Nc2ccccc2)nc(n1)C(Cl)(Cl)Cl
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.985g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
304.559g/mol
Monoisotopic Mass:
302.985g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
76.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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