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
    2.4830   -2.2899    1.8482 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.2486   -1.3777    0.5283 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1985   -0.8310   -0.4013 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3087    0.0180    0.2044 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2006    0.5423   -0.9659 P   0  0  0  0  0  5  0  0  0  0  0  0
    0.8507    0.4225   -2.3251 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1879   -0.4165   -0.9900 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9589   -0.2513    0.1558 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1672   -1.1562    0.0176 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0602   -0.6542   -1.4461 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.2809    2.2454   -0.6702 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2379    2.7265    0.5563 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8640   -2.1003   -0.0466 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9071   -0.5982    0.9478 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6826   -0.2790   -1.2335 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6239   -1.7054   -0.7894 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3682   -0.4900    1.0586 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3490    0.7908    0.1501 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8440   -1.0810    0.8799 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8761   -2.2212   -0.1094 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5963    2.8413   -1.5047 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5233    3.7519    0.7629 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0823    2.1132    1.3868 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