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
    2.0878   -3.6751   -2.9448 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.8631   -2.6567   -2.1860 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4952   -1.6797   -1.1814 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4447   -0.9427   -0.6577 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9242    0.1958    0.4736 P   0  0  0  0  0  5  0  0  0  0  0  0
    2.3100   -0.0579    1.0026 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2156    0.1586    1.7245 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3869    0.8178    1.3707 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3177    0.7077    2.5797 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5187    1.4852    3.9710 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.8691    1.8434   -0.2216 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0668    2.2161   -1.0882 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1563   -3.3444   -1.6362 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2313   -2.1073   -2.9113 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1992   -1.0728   -1.7811 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0723   -2.2219   -0.4231 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8606    0.3424    0.4889 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1936    1.8698    1.1202 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2554    1.2158    2.2948 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5393   -0.3332    2.8115 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6178    2.5798    0.0616 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8085    1.4609   -1.3586 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1080    3.1984   -1.5090 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