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
   -3.1818    0.5664    0.6006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7231   -0.6369    0.3279 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2736   -0.8655   -0.0170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5621    0.3590    0.0072 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7988    0.3246   -0.2905 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5114    1.4725   -0.2776 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8266    1.5282   -0.5524 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6624    3.0676   -0.5094 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.4296    0.3633   -0.8506 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7449   -0.8098   -0.8731 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4323   -0.8232   -0.5928 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6091   -2.2903   -1.2732 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.5439    1.4595    0.5927 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2261    0.6989    0.8444 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3953   -1.4860    0.3496 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2625   -1.3193   -1.0338 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8470   -1.6089    0.6917 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