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
   -3.6272   -0.5578    0.0067 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6295   -0.0944   -0.7405 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2465   -0.6167   -0.5452 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4346    0.4513   -0.1942 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8961    0.4436    0.0788 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4880    1.6181    0.4028 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7858    1.7336    0.6902 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5618    3.2444    1.1100 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.5584    0.6196    0.6578 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0173   -0.5580    0.3437 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6972   -0.6335    0.0586 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9613   -2.0466    0.2822 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.6477   -0.2166   -0.0907 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4298   -1.3144    0.7555 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8232    0.6607   -1.4888 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2162   -1.4407    0.1891 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9111   -1.0404   -1.5160 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