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
   -2.2982    0.8916    0.1863 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0172   -0.3985    0.3176 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4815   -1.1386   -0.8369 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1932   -1.6754   -0.5208 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8010   -0.7640   -0.1752 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5935    0.5580   -0.1315 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5310    1.4589    0.1975 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1485    3.1701    0.2224 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.7702    0.9939    0.5054 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0225   -0.3443    0.4729 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0440   -1.1935    0.1365 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6230   -0.9612    0.8695 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.1449    1.4014   -0.7338 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6950    1.4010    1.0732 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1761   -0.9278    1.2723 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1090   -1.9972   -1.1343 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4187   -0.4744   -1.7210 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