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
    3.5086    0.9729    1.4645 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.3920   -0.4517    0.4142 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2311   -0.3513   -0.5507 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0246   -0.2387    0.1444 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2134   -0.1322   -0.9899 P   0  0  0  0  0  5  0  0  0  0  0  0
    0.2264   -0.9430   -2.2029 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6777   -0.7046   -0.4196 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7532   -0.7986    0.9520 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1481   -1.3331    1.2709 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3295   -0.1535    0.6097 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.4556    1.5471   -1.5048 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3552    2.5085   -0.6185 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3292   -0.5293   -0.1445 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2344   -1.3769    1.0105 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4061    0.5224   -1.2281 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2638   -1.2640   -1.1797 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7478    0.2480    1.3556 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9972   -1.4348    1.4175 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2946   -1.4162    2.3656 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3489   -2.2954    0.7824 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6804    1.7670   -2.5258 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4872    3.5634   -0.8423 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1274    2.2939    0.4195 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