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
   -3.1410    0.4185    0.5355 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9373    0.3223   -0.0087 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4723   -0.8859   -0.7328 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3439   -1.4069   -0.1065 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8335   -0.6917    0.0358 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9184   -1.2384    0.6578 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0679   -0.5799    0.8123 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4714   -1.2600    1.6059 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.1416    0.6792    0.3262 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1084    1.2694   -0.2945 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9776    0.5613   -0.4219 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2930    2.9051   -0.8933 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.4329    1.3148    1.0505 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8136   -0.4160    0.4500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2418    1.1720    0.0723 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1426   -0.5532   -1.7617 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2861   -1.6106   -0.8455 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