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
   -3.0476    0.1559    1.1493 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9771    0.2041    0.3808 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5079   -1.0149   -0.3123 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2013   -1.3942    0.0447 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9110   -0.6006   -0.1380 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1307   -1.0291    0.2277 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2417   -0.2763    0.0626 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8261   -0.8440    0.5425 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.1382    0.9559   -0.4896 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9243    1.4047   -0.8632 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8387    0.6343   -0.6868 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8446    3.0081   -1.5737 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.3857    1.0358    1.6492 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5925   -0.7719    1.2810 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4341    1.1562    0.2575 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4700   -0.8050   -1.4220 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2391   -1.8191   -0.1899 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