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
   -3.4313    0.0424    1.6212 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2810    0.6824    1.6583 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0077    0.0208    1.2599 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3835    0.6665    0.1904 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8064    0.2667   -0.3788 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3533    0.9356   -1.4089 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4928    0.6166   -2.0116 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1666    1.5208   -3.3528 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.1597   -0.4685   -1.5545 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6452   -1.1794   -0.5120 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4867   -0.8212    0.0702 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5799   -2.5696    0.0109 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.3357    0.5428    1.9140 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4865   -0.9809    1.3011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2001    1.7304    1.9826 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2981    0.0110    2.1087 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2668   -1.0164    0.9733 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