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
    3.6040   -0.4051   -0.3162 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6648   -0.3148    0.6105 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3953    0.3961    0.2871 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3468   -0.5224    0.4403 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9877   -0.2237    0.2257 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8969   -1.1986    0.4083 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2196   -1.0154    0.2270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3812   -2.3172    0.4761 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.6239    0.2160   -0.1565 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7284    1.2029   -0.3439 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4112    0.9971   -0.1568 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3499    2.7745   -0.8438 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.5212   -0.9185   -0.0832 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4689    0.0237   -1.2955 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8148   -0.7587    1.6119 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4623    0.8257   -0.7198 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3205    1.2385    1.0071 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