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
   -2.3952    0.5893    0.5995 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0146   -0.5993    0.1875 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3995   -0.7530   -1.1436 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0899   -1.2802   -1.0871 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8849   -0.5907   -0.3919 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5795    0.5646    0.2182 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4868    1.2907    0.9163 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9470    2.7671    1.6531 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.7251    0.8178    0.9851 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0742   -0.3348    0.3891 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1489   -1.0402   -0.3015 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7326   -0.8669    0.5425 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.8511    0.7467    1.5696 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2607    1.4575   -0.0312 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1333   -1.4958    0.7931 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0012   -1.4756   -1.7444 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4336    0.2028   -1.7245 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