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
   -3.1423    0.5807   -0.4401 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9088    0.0966   -0.4897 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4887   -1.0348    0.3619 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4209   -0.7030    1.2226 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8137   -0.2730    0.7890 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1339   -0.1233   -0.5022 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3606    0.3027   -0.8956 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7200    0.4790   -2.6003 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.2797    0.5816    0.0500 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9849    0.4401    1.3522 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7478    0.0118    1.7095 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1029    0.7745    2.6556 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.8944    0.1526    0.2400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4670    1.4047   -1.0530 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2141    0.5744   -1.1919 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3441   -1.3146    1.0113 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2631   -1.9500   -0.2412 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