Monomers

Bis(2-chloroethyl) vinylphosphonate

Identifiers

IUPAC name
1-chloro-2-[2-chloroethoxy(ethenyl)phosphoryl]oxyethane
InchI
InChI=1S/C6H11Cl2O3P/c1-2-12(9,10-5-3-7)11-6-4-8/h2H,1,3-6H2
InchI Key
LHHMNJZNWUJFOC-UHFFFAOYSA-N
SMILES
ClCCOP(=O)(OCCCl)C=C
Canonical SMILES
C=CP(=O)(OCCCl)OCCCl
Isomeric SMILES
C=CP(=O)(OCCCl)OCCCl
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C6H11Cl2O3P
Heavy Atom Count
12
Molecular Weight
233.031
Exact Molecular Weight
231.9823
Valence Electrons
72
Radical Electrons
0
tPSA
35.53
MolLogP
2.8338
H Bond Acceptors
3
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

 23 22  0  0  0  0  0  0  0  0999 V2000
    4.4948   -0.9581   -1.9472 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.4537   -0.9294   -0.5132 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1228   -0.2501   -0.8138 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3498   -0.2578    0.3462 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1389    0.4610    0.1462 P   0  0  0  0  0  5  0  0  0  0  0  0
   -0.4735    0.4938   -1.3349 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2970   -0.5348    0.9144 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3206   -0.8607    0.0226 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2935   -1.7393    0.7871 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3960   -3.1753    1.3221 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.2612    2.0617    0.8904 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1045    3.1310    0.2100 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2969   -1.9378   -0.1090 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0123   -0.3628    0.2747 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2741    0.8116   -1.0825 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6196   -0.8376   -1.5971 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8961   -1.3924   -0.8600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7847    0.1009   -0.2866 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5705   -1.1776    1.7072 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1897   -1.9829    0.2013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6311    2.1901    1.8979 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0499    4.1425    0.6206 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4742    3.0041   -0.7963 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  5 11  1  0
 11 12  2  3
  2 13  1  0
  2 14  1  0
  3 15  1  0
  3 16  1  0
  8 17  1  0
  8 18  1  0
  9 19  1  0
  9 20  1  0
 11 21  1  0
 12 22  1  0
 12 23  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers