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
   -3.5928    0.2021    0.7412 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6993   -0.3816   -0.0391 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2996   -0.4609    0.3922 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4114    0.1944   -0.5079 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9462    0.2079   -0.2399 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7782    0.8265   -1.0911 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1074    0.8408   -0.8305 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1686    1.6573   -1.9618 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.5730    0.2282    0.2882 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7570   -0.3973    1.1541 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4322   -0.3881    0.8554 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3389   -1.1918    2.6003 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.6168    0.2683    0.4419 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3396    0.6379    1.7109 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0486   -0.7833   -0.9817 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9218   -1.4943    0.4996 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1716    0.0339    1.3691 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