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
   -3.1005   -0.4262   -0.2943 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7871   -0.3955   -0.4619 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2027    0.7128   -1.2498 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3115    1.4245   -0.4382 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7894    0.8489    0.1196 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6309    1.5771    0.9052 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7148    0.9910    1.4475 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7605    1.9809    2.4498 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.9759   -0.3218    1.2172 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1551   -1.0565    0.4435 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0821   -0.4411   -0.0826 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4757   -2.7690    0.1297 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.7585    0.3231   -0.7086 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5441   -1.2394    0.2854 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1550   -1.1387   -0.0505 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6989    0.3440   -2.1744 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0261    1.4280   -1.5377 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