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
   -3.2597    0.3326    0.0391 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0192   -0.0839    0.2620 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3590   -1.0328   -0.6404 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1788   -0.5377   -1.2308 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9267   -0.1256   -0.5436 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9808    0.3248   -1.2680 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1054    0.7471   -0.6449 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4204    1.3134   -1.6521 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.1774    0.7199    0.6979 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1511    0.2798    1.4406 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0373   -0.1374    0.7971 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2505    0.2458    3.2075 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.8165   -0.0297   -0.8323 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7807    1.0300    0.6789 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5022    0.2974    1.1341 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0765   -1.9328   -0.0314 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0569   -1.4108   -1.4139 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