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
   -3.6039   -0.2051   -0.4893 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6654   -0.4603    0.4059 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2959   -0.7495   -0.0775 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4336    0.2116    0.4606 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9106    0.3042    0.2636 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5500    1.3314    0.8944 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8663    1.5338    0.7838 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6816    2.8620    1.6016 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.5757    0.6862    0.0193 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9992   -0.3559   -0.6349 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6660   -0.4997   -0.4778 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9425   -1.4540   -1.6301 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.4043   -0.2007   -1.5627 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6149    0.0116   -0.1988 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9240   -0.4500    1.4524 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9750   -1.7440    0.3497 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2750   -0.8217   -1.1602 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