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
   -2.2649    1.0421   -0.1864 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0197   -0.2224    0.1399 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5264   -1.2216   -0.8452 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2657   -1.7059   -0.3806 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7702   -0.7999   -0.2104 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9514   -1.2685    0.2273 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9577   -0.3903    0.3930 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5006   -1.0362    0.9702 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8066    0.9241    0.1336 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6361    1.3960   -0.3013 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6341    0.5125   -0.4648 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3433    3.0835   -0.6646 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.6224    1.7109    0.5865 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0890    1.3254   -1.2177 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1725   -0.5873    1.1621 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4082   -0.7079   -1.8372 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2311   -2.0544   -0.9977 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