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
    4.2073   -1.9991   -0.4254 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.4760   -1.0915    0.9208 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3215   -0.2477    0.4670 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3032   -1.0050   -0.1023 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0099   -0.0657   -0.6114 P   0  0  0  0  0  5  0  0  0  0  0  0
    0.1279    0.2526   -2.1014 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3992   -0.9766   -0.4289 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5414   -0.1851   -0.4226 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7248   -1.1241   -0.2532 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8154   -2.2998   -1.5743 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0873    1.4839    0.2455 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6143    2.5554   -0.1034 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1074   -1.8151    1.6803 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2774   -0.4516    1.3401 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6521    0.5710   -0.1980 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8933    0.2345    1.3703 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4975    0.4464    0.4895 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6933    0.3776   -1.3496 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6834   -0.5689   -0.2101 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6539   -1.7044    0.7001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7487    1.5754    1.0987 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5516    3.5001    0.4233 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3031    2.5377   -0.9551 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