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
    3.6272    0.0696   -0.3395 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6616   -0.0912    0.5539 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2857   -0.3884    0.1194 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3536    0.5754    0.5256 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9739    0.4211    0.1860 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9296    1.3022    0.5381 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2192    1.1377    0.1993 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4796    2.2615    0.6407 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.5519    0.0482   -0.5178 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6484   -0.8599   -0.8958 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3603   -0.6443   -0.5266 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0303   -2.2849   -1.8239 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.4595   -0.0071   -1.4085 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6534    0.2901   -0.0438 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8951   -0.0018    1.6047 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0009   -1.3596    0.5853 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2564   -0.4687   -0.9890 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