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2,4-DIAMINO-6-DICHLOROMETHYL-S-TRIAZINE,30355-63-6, 6-(dichloromethyl)

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摘 要:2,4-DIAMINO-6-DICHLOROMETHYL-S-TRIAZINE,30355-63-6, 6-(dichloromethyl)-1,3,5-triazine-2,4-diamine,Canonical SMILES: C1(=NC(=NC(=N1)N)N)C(Cl)Cl,InChI: InChI=1/C4H5Cl2N5/c5-1(6)2-9-3(7)11-4(8)10-2/h1H,(H4,7,8,9,10,,11)/f/h7-8H2,Molecular Weight194.022
[Synonyms]
2,4-DIAMINO-6-DICHLOROMETHYL-S-TRIAZINE
30355-63-6

[Structure]
2,4-DIAMINO-6-DICHLOROMETHYL-S-TRIAZINE,30355-63-6, 6-(dichloromethyl)

[ Properties Computed from Structure]
Molecular Weight194.022 [g/mol]
Molecular FormulaC4H5Cl2N5
XLogP-0.3
H-Bond Donor2
H-Bond Acceptor5
Rotatable Bond Count1
Tautomer Count5
Exact Mass192.992201
MonoIsotopic Mass192.992201
Topological Polar Surface Area90.7
Heavy Atom Count11
Formal Charge0
Complexity122
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: 6-(dichloromethyl)-1,3,5-triazine-2,4-diamine
Canonical SMILES: C1(=NC(=NC(=N1)N)N)C(Cl)Cl
InChI: InChI=1/C4H5Cl2N5/c5-1(6)2-9-3(7)11-4(8)10-2/h1H,(H4,7,8,9,10,
11)/f/h7-8H2

 
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