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
   -3.2239   -2.7839    1.4206 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.1053   -1.8266   -0.0930 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8163   -1.0501   -0.0179 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6525   -0.2830   -1.1558 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2169    0.5961   -1.0975 P   0  0  0  0  0  5  0  0  0  0  0  0
    0.0521    1.0774   -2.5261 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0740   -0.3497   -0.6163 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1827    0.3861   -0.2576 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3432   -0.4631    0.1748 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8836   -1.5626   -1.0936 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.4593    2.0234   -0.0541 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3882    1.9591    1.2693 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9629   -1.1307   -0.1914 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1064   -2.5676   -0.9202 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9121   -0.3737    0.8740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9991   -1.7816    0.0989 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5108    1.0305   -1.0960 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8997    1.0695    0.5676 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0874   -1.0047    1.1249 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1961    0.1989    0.4288 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6725    2.9827   -0.4990 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1773    1.0222    1.7674 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5371    2.8316    1.8920 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