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
    3.0101    1.0158    0.1201 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7723    0.6091    0.3505 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4650   -0.8236    0.5643 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5620   -1.2961   -0.4028 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7058   -0.7341   -0.5082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5165   -1.2255   -1.4476 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7457   -0.7270   -1.5960 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7784   -1.4022   -2.8433 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.2044    0.2753   -0.8140 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3553    0.7411    0.1197 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1233    0.2524    0.2798 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8853    2.0409    1.1688 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.8232    0.3058    0.0838 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2233    2.0633   -0.0345 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9595    1.3184    0.3886 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4158   -1.4128    0.4684 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0836   -1.0008    1.6001 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