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
   -3.1202   -2.6203    0.5843 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.2457   -1.5058   -0.8168 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3617   -0.3133   -0.4868 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0716   -0.8081   -0.3165 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0313    0.4126    0.0579 P   0  0  0  0  0  5  0  0  0  0  0  0
    0.2146    0.4048    1.5584 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5181   -0.0370   -0.6396 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3072   -0.7214    0.2924 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6021   -1.0712   -0.4370 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6935   -1.9480    0.6475 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.4928    2.0003   -0.5409 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3159    3.0873    0.1881 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7588   -2.0253   -1.6799 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2784   -1.2192   -1.0195 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4215    0.4496   -1.3001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7159    0.1719    0.4334 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5239   -0.0061    1.1010 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8135   -1.6472    0.6482 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1038   -0.1240   -0.7259 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3920   -1.6971   -1.3241 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9607    2.0980   -1.5039 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1585    3.0451    1.1831 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6152    4.0742   -0.1279 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