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
   -3.5893   -0.8218    0.1776 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4792   -0.6892    0.8921 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1301   -0.7459    0.2757 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4208    0.4743    0.4976 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8840    0.6225   -0.0099 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5727    1.7605    0.1851 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8169    1.8859   -0.3058 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6951    3.3891   -0.0344 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.4344    0.9179   -0.9993 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7228   -0.2215   -1.1849 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4766   -0.3662   -0.7015 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4622   -1.5302   -2.0807 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.5337   -0.9784   -0.8986 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5796   -0.7844    0.6014 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5426   -0.5340    1.9601 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5136   -1.5828    0.6483 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2758   -0.7957   -0.8398 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