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
   -3.2523   -0.1006   -0.7832 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6659    0.8470   -0.0457 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2498    0.8194    0.3368 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5519   -0.2901   -0.1366 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7865   -0.4347    0.1532 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4021    0.4967    0.8892 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7245    0.4115    1.2103 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4279    1.6759    2.1722 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.4069   -0.6565    0.7576 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8202   -1.6150    0.0135 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5060   -1.4827   -0.2770 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7823   -2.9659   -0.5312 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.7150   -0.9573   -1.1492 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3027   -0.0373   -1.0410 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2682    1.6842    0.2903 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7578    1.7307   -0.0853 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0926    0.8746    1.4361 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