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
   -3.0983    0.7532    0.8185 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9728    0.0956    0.5552 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6062   -0.2285   -0.8323 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3973    0.3155   -1.2498 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8335    0.0766   -0.6864 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9352    0.6633   -1.1803 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1696    0.4819   -0.6878 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5422    1.2957   -1.4064 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.3203   -0.3378    0.3666 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2076   -0.9396    0.8768 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9921   -0.7399    0.3657 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4820   -1.9988    2.2566 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.7755    1.0690    0.0318 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3920    1.0046    1.8320 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3317   -0.1987    1.3557 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4085    0.0376   -1.5269 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5001   -1.3499   -0.8892 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