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
    5.1601    0.3098    0.2331 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6603    1.2376    0.0614 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4906    0.2763   -0.1773 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3417    1.0645   -0.3041 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0259    0.0359   -0.5692 P   0  0  0  0  0  5  0  0  0  0  0  0
    0.1137   -0.5065   -1.9915 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3695    0.9232   -0.3926 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4515    0.1846    0.0672 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6355    1.1240    0.1748 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0049    1.8228   -1.4157 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.1379   -1.3459    0.5483 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4026   -2.5236    0.2959 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7713    1.8595   -0.8627 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4804    1.8665    0.9512 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6851   -0.2989   -1.0820 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4338   -0.3412    0.7502 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2945   -0.2501    1.0628 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6756   -0.5746   -0.7128 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4860    0.5067    0.5543 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4038    1.8892    0.9289 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6737   -1.2134    1.4764 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9583   -2.7329   -0.6194 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2922   -3.3138    1.0229 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