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
   -4.9263    0.1066   -0.7195 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.2633    0.4989   -1.1709 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2617   -0.2242   -0.2717 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9683    0.1285   -0.6807 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2047   -0.6208    0.2535 P   0  0  0  0  0  5  0  0  0  0  0  0
    0.6380   -1.8794   -0.5015 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5723    0.3686    0.3623 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1087    0.4661   -0.9271 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3465    1.3540   -0.8637 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0096    1.4665   -2.4937 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.4091   -1.0852    1.8498 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2999   -1.0529    2.9599 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1056    0.1746   -2.2109 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1137    1.6029   -1.0723 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4080    0.0221    0.7818 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3733   -1.3117   -0.4856 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4172   -0.5482   -1.2766 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3728    0.8446   -1.6584 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0433    0.8427   -0.1531 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0382    2.3294   -0.4463 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4388   -1.4183    1.9138 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3211   -0.7233    2.9007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1044   -1.3415    3.9100 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