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
    4.3885   -1.7610    0.8913 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.4070   -1.0242   -0.3902 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0895   -0.5114    0.1380 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3665    0.0486   -0.8878 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1133    0.6544   -0.4354 P   0  0  0  0  0  5  0  0  0  0  0  0
   -0.7820    1.2298   -1.6795 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1519   -0.5295    0.1691 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2828   -0.7009   -0.6258 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1150   -1.7876    0.0381 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5618   -1.2679    1.6800 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0085    1.9556    0.7723 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1387    3.1971    0.3453 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1616   -1.8399   -1.1140 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9196   -0.1948   -0.8964 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5118   -1.4088    0.5071 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2169    0.1666    1.0112 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0513   -0.9879   -1.6577 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8944    0.2291   -0.6406 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0553   -1.9652   -0.5317 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5272   -2.7263    0.0979 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0652    1.7217    1.8195 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1976    3.4499   -0.7071 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2110    4.0523    1.0232 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