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
   -1.9595   -1.6010    0.3062 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8770   -0.6961   -0.6383 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8900    0.7649   -0.2667 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6719    1.3301   -0.7263 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5636    0.9074   -0.3123 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6997   -0.0846    0.5689 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8980   -0.5172    0.9904 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0592   -1.8349    2.1602 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.9883    0.0912    0.4885 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8570    1.0880   -0.3967 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6503    1.5040   -0.8039 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2845    1.8961   -1.0641 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.9518   -2.6390    0.0615 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0372   -1.3113    1.3555 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8003   -0.9912   -1.6768 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7623    1.1928   -0.8008 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0506    0.9008    0.8133 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