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
   -3.1833    0.5287   -0.0647 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7616   -0.7257   -0.1383 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3060   -0.9838   -0.1866 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6233    0.2423   -0.1412 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7709    0.3079   -0.1717 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5483   -0.7904   -0.2460 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8914   -0.7247   -0.2752 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9072   -2.1550   -0.3720 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.4443    0.5064   -0.2263 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6860    1.6257   -0.1514 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3497    1.5317   -0.1238 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5104    3.1654   -0.0936 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.2501    0.7729   -0.0265 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5005    1.3703   -0.0390 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4517   -1.5349   -0.1624 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0450   -1.4591   -1.1746 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9868   -1.6778    0.6313 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