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
   -2.0192   -2.9814    1.4061 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.4461   -2.2580   -0.1369 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9202   -0.8543   -0.2774 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5351   -0.8256   -0.1834 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0718    0.7437   -0.3391 P   0  0  0  0  0  5  0  0  0  0  0  0
    0.2588    1.1370   -1.7884 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6229    0.7673    0.3846 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2566   -0.4038   -0.0398 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6509   -0.5280    0.5221 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5863    0.8744   -0.0372 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.0021    1.9268    0.4468 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3946    3.0232   -0.1839 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5664   -2.1780   -0.1748 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0802   -2.8612   -0.9784 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3518   -0.1582    0.4639 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1831   -0.4653   -1.2775 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2719   -0.3478   -1.1618 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5957   -1.2466    0.2437 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5559   -0.5548    1.6239 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0688   -1.4792    0.1593 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3256    1.7235    1.4572 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0479    3.7277    0.3152 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0675    3.2185   -1.1913 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