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
   -3.0464   -0.2237    0.7818 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8807    0.1399    0.2695 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4764   -0.3932   -1.0402 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2780   -1.1107   -0.9031 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8619   -0.4847   -0.4674 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8683    0.8151   -0.1653 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9889    1.4218    0.2610 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9548    3.1311    0.6474 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.1280    0.6905    0.3829 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1564   -0.6220    0.0868 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0070   -1.1769   -0.3350 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6416   -1.5438    0.2529 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.3320    0.1756    1.7461 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7207   -0.8982    0.2811 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2411    0.8137    0.7974 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4029    0.4056   -1.8177 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2286   -1.1401   -1.4095 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