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
    3.2619   -0.1266   -0.4771 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7183    0.6192    0.4598 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2327    0.6458    0.6334 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5982   -0.1968   -0.3057 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7688   -0.3036   -0.3017 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4924    0.3840    0.5833 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8527    0.3053    0.6199 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6661    1.2636    1.8348 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.4608   -0.4870   -0.2621 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7460   -1.1883   -1.1626 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3986   -1.0934   -1.1787 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6022   -2.2102   -2.2933 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.3258   -0.1427   -0.5979 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6409   -0.7180   -1.1196 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3543    1.2209    1.1130 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9222    0.3130    1.6434 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9334    1.7148    0.4363 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