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
    4.1141   -2.4527    0.3131 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.1934   -1.1909   -0.5142 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0114   -0.7081    0.3182 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3723    0.2678   -0.4226 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0290    0.9067    0.3734 P   0  0  0  0  0  5  0  0  0  0  0  0
    0.5152    1.4593    1.6906 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1251   -0.2634    0.7100 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6971   -0.7831   -0.4492 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7339   -1.8343   -0.1440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0618   -1.2150    0.8345 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.6540    2.2277   -0.6060 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6796    3.4486   -0.1133 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8590   -0.3245   -0.6715 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8542   -1.5892   -1.4803 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3415   -1.5388    0.6096 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4526   -0.2273    1.2218 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8855   -1.2772   -1.0225 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0760    0.0441   -1.0444 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1061   -2.2347   -1.1089 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2801   -2.6933    0.3899 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0555    2.0758   -1.6010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2966    3.6427    0.8581 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0913    4.2597   -0.6967 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