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
   -3.6059    0.1156    0.8188 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7156   -0.0918   -0.1345 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3764    0.5808   -0.1348 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4114   -0.4046   -0.0996 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9391   -0.2878   -0.0864 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6238    0.8580   -0.1058 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9704    0.8814   -0.0903 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9052    2.3532   -0.1146 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6566   -0.2885   -0.0541 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9964   -1.4595   -0.0338 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6656   -1.4394   -0.0501 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9384   -2.9349    0.0128 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.4106    0.7903    1.6585 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5748   -0.3648    0.8282 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9950   -0.7789   -0.9307 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3144    1.1782    0.7989 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2915    1.2928   -0.9756 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