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
   -2.6425    0.4395    0.5061 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9864   -0.7012    0.6342 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3968   -1.3153   -0.5613 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0069   -1.4789   -0.4997 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9310   -0.5201   -0.3494 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5914    0.7643   -0.2377 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5538    1.6924   -0.0891 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1803    3.4069    0.0644 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8436    1.3507   -0.0514 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2032    0.0624   -0.1623 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2239   -0.8447   -0.3097 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8617   -0.4570   -0.1219 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.0816    0.9044    1.3727 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7546    0.9245   -0.4415 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9105   -1.1399    1.6276 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8674   -2.3309   -0.6635 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7420   -0.7569   -1.4511 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