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
   -3.6086    0.4928    0.3955 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6936   -0.1534   -0.2945 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2979   -0.1320    0.1318 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4225    0.4222   -0.8407 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9256    0.4745   -0.5014 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8415    0.9893   -1.3698 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1506    1.0595   -1.0849 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2774    1.7431   -2.2685 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.5713    0.6071    0.0958 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7149    0.0896    0.9908 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4093    0.0335    0.6746 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2380   -0.5149    2.5550 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.3902    1.0616    1.2928 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6340    0.4630    0.0617 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9849   -0.6980   -1.1767 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9124   -1.1769    0.3034 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1846    0.4914    1.0351 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