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
    3.6731   -0.0235    0.2554 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6137   -0.7719    0.4789 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2653   -0.1587    0.7317 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3946   -0.6167   -0.2661 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9422   -0.2573   -0.3533 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5554    0.5624    0.4970 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8687    0.8893    0.3755 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6709    1.9674    1.4956 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.5377    0.3432   -0.6552 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9681   -0.4888   -1.5408 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6600   -0.7761   -1.3679 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8682   -1.1890   -2.8806 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.6230   -0.4878    0.0780 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5620    1.0461    0.2556 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7166   -1.8407    0.4803 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2950    0.9280    0.7047 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9280   -0.5730    1.7110 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