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
   -4.0438   -1.1183   -1.1965 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.2871   -1.6850    0.3186 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1884   -0.7051    0.7402 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2691   -0.6746   -0.2818 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0238    0.3461   -0.0159 P   0  0  0  0  0  5  0  0  0  0  0  0
    0.1727    0.7495    1.4249 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4080   -0.3559   -0.6499 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4917   -0.2906    0.1920 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6571   -0.9711   -0.5370 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1296   -0.9444    0.4713 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.2793    1.8598   -0.9493 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7907    2.9345   -0.3802 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8053   -2.6671    0.0818 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0842   -1.7578    1.0634 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7928   -1.0816    1.6988 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6893    0.2662    0.9304 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7809    0.7295    0.4953 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3125   -0.8654    1.1187 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4070   -2.0145   -0.7752 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8977   -0.4173   -1.4765 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0447    1.9176   -2.0085 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0334    2.9084    0.6667 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9729    3.8374   -0.9314 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