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
   -2.4193   -0.2117    0.7273 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0227   -0.4449   -0.5300 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4960    0.6668   -1.3557 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1745    0.3589   -1.7379 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8207    0.1497   -0.7919 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6163    0.2204    0.5297 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6256    0.0069    1.4136 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2867    0.1158    3.1481 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8580   -0.2821    0.9566 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0576   -0.3519   -0.3744 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0487   -0.1379   -1.2279 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6346   -0.7231   -1.0423 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.7974   -1.0403    1.3018 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3704    0.7607    1.1665 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0752   -1.4254   -0.9642 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4901    1.6301   -0.8521 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1025    0.7080   -2.2789 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