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
   -2.4217    1.5645   -2.4824 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2001    1.0822   -2.4368 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4816    0.8735   -1.1555 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1251   -0.4821   -0.9674 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5534   -0.8483    0.1819 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9311   -2.1117    0.4427 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5938   -2.4475    1.5733 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0892   -4.0846    1.9228 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.8762   -1.4758    2.4537 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5221   -0.1948    2.2435 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8658    0.0773    1.1024 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9325    0.9891    3.4413 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.9128    1.8151   -1.5533 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8945    1.6949   -3.4434 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6878    0.8248   -3.3407 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4324    1.5295   -1.1942 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0731    1.1939   -0.2830 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