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
    2.0469   -0.1676    0.9641 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1481   -0.9503   -0.0977 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4279   -0.7835   -1.3749 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5598    0.3019   -1.4409 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5640    0.4946   -0.6577 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3541    1.5777   -0.7779 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4502    1.7713   -0.0219 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4773    3.1634   -0.1669 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.7654    0.8208    0.9048 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0037   -0.2777    1.0589 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9320   -0.3997    0.2723 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4576   -1.4638    2.2647 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.4303    0.6948    1.0439 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6652   -0.4481    1.8402 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8254   -1.8287   -0.0765 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1092   -0.7934   -2.2558 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7915   -1.7117   -1.4788 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