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
    3.6204   -0.0887   -0.0398 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5976   -0.4993   -0.7417 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2739    0.1476   -0.5599 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3339   -0.8416   -0.1307 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9859   -0.4211    0.0970 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9045   -1.3187    0.5021 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1722   -0.9109    0.7201 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4312   -1.9964    1.2453 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.5203    0.3931    0.5331 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6122    1.3022    0.1281 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3557    0.8718   -0.0825 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1039    2.9664   -0.0992 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.5829    0.7122    0.6895 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6134   -0.5526   -0.1564 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7224   -1.3063   -1.4492 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9868    0.5692   -1.5439 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3548    0.9730    0.1511 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