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
   -3.6735    0.0002    0.5675 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6711   -0.6311   -0.0224 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3775    0.0360   -0.2596 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3612   -0.6528    0.3970 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9767   -0.2831    0.3744 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4403    0.7912   -0.2911 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7527    1.1144   -0.2859 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3859    2.5038   -1.1407 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6380    0.3614    0.3923 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1958   -0.7141    1.0624 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8720   -1.0265    1.0477 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3639   -1.6859    1.9422 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.6277   -0.4435    0.7596 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5367    1.0309    0.8820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8033   -1.6563   -0.3366 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1630    0.1846   -1.3380 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4113    1.0707    0.1763 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