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
    3.8708   -1.4339    2.0595 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.1781   -1.1599    0.4491 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8467   -0.4522    0.5241 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4004   -0.2917   -0.7951 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1121    0.5068   -0.8065 P   0  0  0  0  0  5  0  0  0  0  0  0
   -0.6040    0.5342   -2.2267 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1219   -0.3239    0.2288 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2027   -0.9159   -0.3911 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0023   -1.6223    0.7120 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5303   -0.4319    1.9064 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.1174    2.1741   -0.2016 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3128    3.2029   -1.0035 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8580   -0.5206   -0.1474 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0564   -2.1235   -0.0590 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1244   -0.9999    1.1412 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9643    0.5737    0.9358 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8855   -0.1653   -0.8524 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9379   -1.6237   -1.1910 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8580   -2.1835    0.2911 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3610   -2.3771    1.2192 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0971    2.3618    0.8728 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4452    4.1849   -0.5867 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3442    3.0869   -2.0791 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