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
   -3.5914   -0.2268   -0.6665 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6832   -0.0994    0.2928 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3236    0.4175   -0.0214 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4031   -0.5882    0.3356 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9692   -0.3458    0.1358 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3907    0.7955   -0.3741 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7019    1.0158   -0.5603 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1523    2.5710   -1.2461 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6003    0.0967   -0.2381 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1678   -1.0635    0.2805 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8628   -1.3038    0.4746 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3229   -2.3232    0.7275 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.5571   -0.6013   -0.4040 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4016    0.0269   -1.6853 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8948   -0.3620    1.3203 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1209    1.3888    0.4810 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1922    0.6018   -1.1066 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