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
    3.7995   -1.5587    0.8936 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7631   -0.2450   -0.2972 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4371    0.5459   -0.2660 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4902   -0.4068   -0.4901 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1576    0.1989   -0.4192 P   0  0  0  0  0  5  0  0  0  0  0  0
   -0.4896    0.4594   -1.9185 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0213   -1.1575    0.0528 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3244   -0.9499    0.3881 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0793   -1.7915   -0.6941 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5408   -3.4267   -0.7587 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.2061    1.6795    0.4056 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9320    2.0540    1.4484 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9402   -0.6853   -1.2732 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5927    0.4528    0.0187 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5333    1.2513   -1.1383 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4289    1.0843    0.6641 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5101   -1.6254    1.2916 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7496   -0.0164    0.5014 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1318   -1.6389   -0.5534 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7966   -1.2278   -1.6734 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4531    2.5119   -0.0225 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8320    3.1087    1.9345 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6668    1.3833    1.9058 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