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
   -3.1676    0.7216   -0.1141 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7890   -0.5347    0.0127 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3359   -0.8476    0.0648 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6073    0.3326   -0.0379 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7851    0.3259   -0.0162 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4312   -0.8418    0.1061 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7738   -0.9273    0.1347 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5816   -2.4763    0.2962 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.4699    0.2254    0.0341 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8664    1.4210   -0.0902 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5221    1.4348   -0.1118 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8163    2.8991   -0.2182 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.4309    1.4972   -0.1777 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2105    0.9844   -0.1552 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5107   -1.3526    0.0806 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0687   -1.3745    1.0157 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1260   -1.4873   -0.8237 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