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
   -3.2411    0.3676   -0.0614 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7074   -0.6938    0.5069 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2393   -0.8166    0.5797 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6385    0.3074   -0.0162 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7662    0.3642   -0.0395 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4742   -0.6297    0.4936 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8084   -0.5917    0.4801 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7537   -1.9095    1.1870 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.4962    0.4289   -0.0603 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7384    1.4217   -0.5931 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    1.4021   -0.5893 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5191    2.8275   -1.3383 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.3375    0.4567   -0.1144 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6876    1.1751   -0.4890 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3199   -1.4836    0.9247 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9018   -0.9128    1.6525 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8860   -1.7135   -0.0059 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