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
    4.0058   -0.6541   -0.7968 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8917   -0.9894    0.5560 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7070   -0.0227    0.4299 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1272   -0.2934   -0.8061 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2040    0.6862   -1.1163 P   0  0  0  0  0  5  0  0  0  0  0  0
   -0.0579    1.3227   -2.4762 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5646   -0.3326   -1.1968 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6456   -0.9766    0.0400 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8595   -1.8892   -0.0239 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5966   -3.0417   -1.3487 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.4702    1.8999    0.1585 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1798    3.0493    0.1401 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3807   -0.9138    1.5366 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5395   -2.0315    0.4158 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0215   -0.1965    1.2637 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0573    1.0179    0.4321 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7182   -1.5364    0.2230 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7871   -0.2259    0.8510 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7589   -1.2827   -0.2448 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9873   -2.3579    0.9490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1681    1.7145    0.9672 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0247    3.8033    0.9181 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8828    3.2505   -0.6635 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