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
   -4.1295   -0.7297   -1.1194 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.2414   -1.0403    0.3789 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9870   -0.1816    0.3458 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2688   -0.5641   -0.7588 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1580    0.2546   -0.9928 P   0  0  0  0  0  5  0  0  0  0  0  0
    0.8491   -0.3266   -2.2071 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1795    0.0218    0.3257 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0102   -1.0982    0.1004 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9312   -1.3040    1.2948 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9418    0.1362    1.5250 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0498    1.9983   -1.2604 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1401    2.9294   -0.3741 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8779   -2.1016    0.3266 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8462   -0.8675    1.2891 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4485   -0.2683    1.3005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3398    0.8848    0.2773 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3808   -2.0019   -0.0278 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6047   -0.9822   -0.8232 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3669   -1.4811    2.2083 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5541   -2.1973    1.1052 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3685    2.2792   -2.2791 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0097    3.9629   -0.6239 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4508    2.6772    0.6249 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