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
   -3.1192   -1.1454    0.1967 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7872    0.0810    0.5484 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3638    0.5208    0.4305 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5486   -0.5187   -0.0727 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8137   -0.2208   -0.2269 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3298    0.9829    0.0828 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6147    1.3244   -0.0423 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2138    2.9235    0.3853 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.4615    0.3868   -0.5170 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9738   -0.8438   -0.8411 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6751   -1.1583   -0.7043 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1083   -2.0465   -1.4591 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.3907   -1.8308   -0.1708 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1463   -1.4586    0.2831 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5252    0.7795    0.9221 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0245    0.8485    1.4337 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2852    1.3755   -0.2484 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