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
    3.5811    0.4700    0.5252 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7249   -0.0517   -0.3360 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2979    0.3664   -0.3170 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4425   -0.7311   -0.0719 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9296   -0.5754   -0.0110 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7646   -1.6025    0.2206 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1047   -1.4312    0.2768 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2301   -2.7358    0.5751 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.5652   -0.1874    0.0907 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7590    0.8608   -0.1427 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4306    0.6574   -0.1926 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3705    2.4657   -0.3818 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.6101    0.1443    0.4842 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2952    1.2048    1.2643 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0501   -0.7849   -1.0609 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0470    0.7610   -1.3450 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1054    1.1697    0.4218 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