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
   -3.6305   -0.1872   -0.4474 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6959    0.0056    0.4558 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3722    0.5508    0.0898 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4020   -0.4144    0.4515 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9492   -0.2479    0.2579 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5294    0.8175   -0.2839 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8774    0.8822   -0.4302 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6583    2.2684   -1.1374 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6386   -0.1375   -0.0254 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0874   -1.2290    0.5259 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7567   -1.2588    0.6546 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1402   -2.5316    1.0361 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.4678    0.0447   -1.4888 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5922   -0.5874   -0.1565 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8964   -0.2376    1.4827 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3735    0.7495   -1.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2069    1.5125    0.6574 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