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
    3.5691    0.3029   -0.6614 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6925   -0.1726    0.2054 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2877   -0.4559   -0.1799 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4538    0.3442    0.6293 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9036    0.2710    0.4719 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4158   -0.5518   -0.4400 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7517   -0.6625   -0.6363 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3943   -1.7625   -1.8529 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.5564    0.0866    0.1200 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0662    0.9383    1.0615 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7217    1.0141    1.2209 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1819    1.8849    2.0114 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.2564    0.4916   -1.6804 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5791    0.5083   -0.3906 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9684   -0.3740    1.2339 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0914   -1.5214    0.1412 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0932   -0.3414   -1.2541 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