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
    2.7416   -2.6154    0.8400 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.2204   -1.3193   -0.2795 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2065   -0.2210   -0.3227 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9503   -0.6717   -0.7419 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1483    0.5880   -0.7746 P   0  0  0  0  0  5  0  0  0  0  0  0
    0.0858    1.3527   -2.0812 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7447    0.0912   -0.7250 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0155   -0.8800    0.1943 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4937   -1.2103    0.1067 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9593   -2.4644    1.2604 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.1053    1.7288    0.5816 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2090    3.0518    0.3535 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1668   -0.8991    0.1008 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3397   -1.7885   -1.2805 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5873    0.5720   -0.9960 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1330    0.2159    0.6889 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8309   -0.4459    1.2164 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4322   -1.7919    0.1094 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7405   -1.4793   -0.9472 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0458   -0.2816    0.3504 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1710    1.3271    1.5703 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1340    3.3985   -0.6736 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3602    3.7423    1.1522 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