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
    3.2938   -0.5495   -0.6842 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7206    0.6230   -0.5346 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2660    0.8013   -0.2751 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5822   -0.4254   -0.2095 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7900   -0.3784    0.0300 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4593    0.7683    0.1951 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7800    0.8558    0.4274 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6220    2.3740    0.6383 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.4744   -0.2904    0.4984 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8539   -1.4960    0.3393 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5293   -1.5195    0.1090 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8003   -2.9721    0.4397 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.3582   -0.6215   -0.8715 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7563   -1.4905   -0.6316 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3103    1.5217   -0.5980 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8466    1.5081   -1.0054 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1750    1.2913    0.7269 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