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
    4.0530    0.4239    1.2639 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.8240   -0.5968   -0.1763 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3442   -0.9321   -0.3531 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6719    0.2505   -0.5004 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0244    0.0951   -0.7082 P   0  0  0  0  0  5  0  0  0  0  0  0
   -0.3621   -1.0753   -1.5766 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7885   -0.0527    0.7873 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0659   -0.5886    0.5870 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7235   -0.6909    1.9429 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3587   -1.3793    1.6666 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.5699    1.5775   -1.5405 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1304    2.5740   -0.9066 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4469   -1.5104   -0.1239 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1974   -0.0064   -1.0448 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2280   -1.6461   -1.1666 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0331   -1.4484    0.5973 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0402   -1.5745    0.1206 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6929    0.0646   -0.0431 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7933    0.2876    2.4475 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1329   -1.3498    2.6154 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4423    1.6103   -2.6022 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2537    2.5315    0.1577 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4687    3.4361   -1.4439 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