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
    2.1345    0.9666   -2.1469 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4679    0.3105   -1.1756 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6670    0.7146    0.2436 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4846    1.1288    0.8560 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6158    0.2957    0.9825 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5642   -0.9537    0.5080 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5889   -1.8046    0.5985 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4499   -3.4277   -0.0460 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.7161   -1.3579    1.2009 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8060   -0.1085    1.6904 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7464    0.7067    1.5733 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3147    0.3534    2.4473 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.9893    0.6721   -3.1801 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7983    1.7690   -1.8907 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7955   -0.4966   -1.3857 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9864   -0.2296    0.7760 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4786    1.4614    0.3441 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