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
    3.9558   -1.1604    1.3141 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.0315   -1.1300   -0.2600 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9965   -0.0712   -0.1496 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2219   -0.3923    0.9640 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1795    0.6801    0.9580 P   0  0  0  0  0  5  0  0  0  0  0  0
   -0.8506    0.5799    2.3000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1399   -0.2385   -0.1696 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2874   -0.6677    0.5240 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3261   -2.1745    0.5953 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3696   -2.9825   -0.9664 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.1870    2.3019    0.4898 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6333    3.1861    0.0173 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5729   -2.1178   -0.3170 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7632   -1.0200   -1.0955 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4795    0.0055   -1.1237 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5148    0.8959    0.0171 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6291   -0.0826    1.3482 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1062   -0.3728   -0.3133 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3070   -2.4548    1.0888 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1744   -2.4835    1.2151 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2605    2.6348    0.6192 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2817    4.1388   -0.2240 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6989    2.9256   -0.2044 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