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
   -3.6156    0.4098   -0.2805 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6085    0.0072   -1.0307 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2319    0.4659   -0.7161 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4495   -0.6585   -0.4523 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9019   -0.5335   -0.1235 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4950    0.6903   -0.0509 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7873    0.8274    0.2625 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4499    2.4465    0.3281 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.5267   -0.2668    0.5137 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9604   -1.5052    0.4486 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6601   -1.5987    0.1306 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9410   -2.9359    0.7805 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.6402    0.1044   -0.4668 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4162    1.0680    0.5509 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7353   -0.6543   -1.8822 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8100    1.0221   -1.5985 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2152    1.1111    0.1818 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