Monomers

2-(Allyloxy)-4,6-dichloro-1,3,5-triazine

Identifiers

IUPAC name
2,4-dichloro-6-prop-2-enoxy-1,3,5-triazine
InchI
InChI=1S/C6H5Cl2N3O/c1-2-3-12-6-10-4(7)9-5(8)11-6/h2H,1,3H2
InchI Key
OSVAWQJNBLOEMP-UHFFFAOYSA-N
SMILES
C=CCOc1nc(Cl)nc(n1)Cl
Canonical SMILES
C=CCOC1=NC(=NC(=N1)Cl)Cl
Isomeric SMILES
C=CCOC1=NC(=NC(=N1)Cl)Cl
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C6H5Cl2N3O
Heavy Atom Count
12
Molecular Weight
206.032
Exact Molecular Weight
204.981
Valence Electrons
64
Radical Electrons
0
tPSA
47.9
MolLogP
1.7432
H Bond Acceptors
4
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
1
Aliphatic Rings
0
Aromatic Rings
1

MOL File


     RDKit          3D

 17 17  0  0  0  0  0  0  0  0999 V2000
   -3.5979   -0.0969    0.7351 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6426   -0.8162    0.1744 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4188   -0.1321   -0.3198 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2582   -0.6138    0.3283 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0077   -0.1606    0.0685 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3214    0.7812   -0.8151 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6074    1.1686   -1.0069 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0219    2.4196   -2.1811 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.5830    0.5831   -0.2838 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3018   -0.3761    0.6218 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0215   -0.7256    0.7770 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5816   -1.1434    1.5697 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.5137    0.9695    0.8433 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4838   -0.5882    1.0933 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7005   -1.8853    0.0530 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4926    0.9711   -0.2446 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3382   -0.3547   -1.4130 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  7  9  2  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 11  5  1  0
  1 13  1  0
  1 14  1  0
  2 15  1  0
  3 16  1  0
  3 17  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers