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2-AMINO-4-ANILINO-6-TRICHLOROMETHYL-S-TRIAZINE,30355-69-2, N-phenyl-6-

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摘 要:2-AMINO-4-ANILINO-6-TRICHLOROMETHYL-S-TRIAZINE,30355-69-2, N-phenyl-6-(trichloromethyl)-1,3,5-triazine-2,4-diamine,Canonical SMILES: C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)C(Cl)(Cl)Cl,InChI: InChI=1/C10H8Cl3N5/c11-10(12,,13)7-16-8(14)18-9(17-7)15-6-4-2-1-3-5-
[Synonyms]
2-AMINO-4-ANILINO-6-TRICHLOROMETHYL-S-TRIAZINE
30355-69-2

[Structure]
2-AMINO-4-ANILINO-6-TRICHLOROMETHYL-S-TRIAZINE,30355-69-2, N-phenyl-6-

[ Properties Computed from Structure]
Molecular Weight304.56302 [g/mol]
Molecular FormulaC10H8Cl3N5
XLogP2.2
H-Bond Donor2
H-Bond Acceptor5
Rotatable Bond Count2
Tautomer Count9
Exact Mass302.984528
MonoIsotopic Mass302.984528
Topological Polar Surface Area76.7
Heavy Atom Count18
Formal Charge0
Complexity267
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: N-phenyl-6-(trichloromethyl)-1,3,5-triazine-2,4-diamine
Canonical SMILES: C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)C(Cl)(Cl)Cl
InChI: InChI=1/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)/f/h15H,14H2

 
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