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
    5.0633   -0.4014    0.5816 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.5726   -0.8276   -0.3165 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   -0.1859    0.4139 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1948   -0.4434   -0.1889 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0135    0.3351    0.7363 P   0  0  0  0  0  5  0  0  0  0  0  0
    0.5102    0.3500    2.1850 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4366   -0.5130    0.7338 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8089   -0.9403   -0.5255 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1329   -1.6874   -0.3628 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2857   -0.5027    0.3244 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.2131    2.0160    0.1833 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3899    2.6022    0.2493 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6705   -0.3824   -1.3293 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5252   -1.9166   -0.3595 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4400   -0.4845    1.4793 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6073    0.9223    0.3851 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0572   -1.5443   -1.0442 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0279   -0.0587   -1.1598 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9700   -2.4527    0.4450 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4864   -2.1300   -1.2919 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6347    2.5523   -0.2101 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5815    3.6191   -0.0724 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2670    2.0739    0.6467 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