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
    3.5585    0.2915   -0.6892 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6979    0.4680    0.2969 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2601    0.5723    0.0104 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5193   -0.4563    0.6697 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8566   -0.4655    0.4768 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6265   -1.4104    1.0695 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9582   -1.4455    0.9024 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9819   -2.6412    1.6451 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.5431   -0.5160    0.1245 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8192    0.4443   -0.4864 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4926    0.4359   -0.2875 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5213    1.6660   -1.4991 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.2162    0.2208   -1.7254 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6296    0.2065   -0.5503 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0597    0.5344    1.3085 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0431    0.5607   -1.0709 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8149    1.5345    0.3913 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