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
    3.0117    1.1048   -0.3992 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8081   -0.1920   -0.2629 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4196   -0.6907   -0.1369 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5421    0.4101   -0.1935 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8300    0.2488   -0.1008 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6930    1.2686   -0.1505 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0084    1.0133   -0.0519 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1455    2.3617   -0.1178 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.4715   -0.2430    0.0950 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6028   -1.2492    0.1430 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3103   -0.9940    0.0458 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1230   -2.9063    0.3318 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.2026    1.8373   -0.4242 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0150    1.5184   -0.4954 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6447   -0.8536   -0.2463 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3593   -1.1986    0.8609 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1817   -1.4353   -0.9520 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