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
   -3.1874   -2.8546    0.0600 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.2670   -1.2124    0.6134 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6111   -0.1986   -0.3942 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3757   -0.5389   -0.5065 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0159    0.4332   -0.3838 P   0  0  0  0  0  5  0  0  0  0  0  0
    0.1553    0.2201    1.2707 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3368   -0.4243   -0.8737 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2998   -0.6255    0.0957 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2459   -1.8201   -0.2489 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4579   -1.9750    1.0516 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0009    2.1457   -0.5176 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2234    2.9553    0.4141 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5340   -1.0997    1.5244 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1937   -0.8120    0.9089 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2168   -0.5670   -1.3760 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9594    0.7949   -0.3035 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9274   -0.7395    1.1121 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9689    0.2996    0.1496 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7252   -1.6342   -1.2049 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6597   -2.7675   -0.2708 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1932    2.5595   -1.6338 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1157    4.1252   -0.5356 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4373    3.7358    1.0487 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