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
    3.5833   -0.0061   -0.6911 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6568    0.6975   -0.0750 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3439    0.0867    0.2148 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2808    0.7845   -0.4002 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0020    0.3417   -0.2268 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0098    1.0019   -0.8089 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3057    0.5913   -0.6600 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6398    1.4120   -1.3925 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.5133   -0.5129    0.1039 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5131   -1.1819    0.6914 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2387   -0.7400    0.5176 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8926   -2.5918    1.6539 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.5716    0.3843   -0.9344 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4018   -1.0315   -0.9924 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8275    1.7222    0.2303 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1658    0.0047    1.3215 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2836   -0.9625   -0.1578 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