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
   -3.2437   -0.1624   -0.9498 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6319   -0.9892   -0.1068 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1824   -0.8554    0.1496 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5952    0.1934   -0.5737 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7518    0.4436   -0.4401 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3384    1.4322   -1.1136 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6486    1.6422   -0.9558 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4414    2.9379   -1.8325 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.3821    0.8764   -0.1327 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8085   -0.1195    0.5502 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4965   -0.3084    0.3744 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6615   -1.1743    1.6441 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.3045   -0.2443   -1.1508 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6762    0.6180   -1.4549 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1855   -1.7603    0.3942 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6750   -1.8393   -0.0680 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0345   -0.6905    1.2342 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