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
    4.4653    0.7238    2.5991 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.7648    1.2534    2.4824 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0870    0.4229    1.4453 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7488    0.7629    1.2801 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0350   -0.2059    0.0986 P   0  0  0  0  0  5  0  0  0  0  0  0
    0.0592   -1.6391    0.6193 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5791    0.2247   -0.1664 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2577   -0.9006   -0.5843 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7213   -0.6369   -0.8545 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9295    0.5806   -2.1138 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.9520   -0.1615   -1.4433 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4531    0.3997   -2.5220 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7468    2.3384    2.2269 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3245    1.1502    3.4913 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1891   -0.6420    1.7400 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6427    0.5587    0.4890 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1641   -1.6637    0.2119 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8061   -1.2314   -1.5470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2846   -0.3968    0.0686 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1473   -1.5960   -1.2397 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9385   -0.6031   -1.4993 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0087    0.4211   -3.4382 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5259    0.8405   -2.4762 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