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
    2.0306   -2.0232    0.6625 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.2682   -0.7859    0.2262 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6213    0.1896   -0.7694 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7102    0.9092   -0.1740 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3138    0.4464    0.4337 P   0  0  0  0  0  5  0  0  0  0  0  0
    0.5426   -0.0740    1.9106 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6081   -0.7685   -0.2975 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8655   -0.8250    0.2973 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6677   -1.9903   -0.2430 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2497   -2.0970    0.6267 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.7447    1.9164    0.7302 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9959    2.7276   -0.2471 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4491   -0.1677    1.1909 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1367   -1.2085   -0.1201 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4870    0.8828   -1.0578 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4086   -0.3560   -1.6760 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3872    0.1064   -0.1188 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8801   -0.7519    1.3752 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1744   -2.9630   -0.2021 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9539   -1.8110   -1.2922 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1036    2.0859    1.7359 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8325    2.8704   -1.2394 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5047    3.6872    0.2624 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