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
   -3.1577    0.6157    0.3175 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8596    0.7350    0.1195 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2825    0.6304   -1.2625 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3682   -0.4221   -1.3509 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7792   -0.5353   -0.6048 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1369    0.3816    0.3038 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2669    0.2641    1.0343 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7165    1.4688    2.2134 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.0614   -0.8084    0.8454 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7198   -1.7403   -0.0622 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5814   -1.5996   -0.7824 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8132   -3.0938   -0.2353 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.8097    0.4395   -0.5373 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5447    0.6950    1.3195 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1788    0.9120    0.9548 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0994    0.4461   -1.9728 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7750    1.6113   -1.4423 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