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
    3.1596   -1.2253    2.3674 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.1423   -0.3453    0.7985 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7150   -0.2856    0.3497 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5411    0.3679   -0.8541 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0225    0.4547   -1.3830 P   0  0  0  0  0  5  0  0  0  0  0  0
   -0.0310    0.7341   -2.8917 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9619   -0.8714   -1.0891 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6733   -0.8604    0.0766 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4917   -2.1369    0.2230 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4134   -2.1162    1.7397 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.7809    1.9137   -0.6359 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0998    3.0531   -0.5635 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6955   -0.9890    0.0925 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6096    0.6448    0.9388 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3236   -1.3202    0.3458 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1459    0.2761    1.1187 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4076   -0.0298    0.1672 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9584   -0.8609    0.9251 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2191   -2.2427   -0.6186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8680   -3.0381    0.2260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7746    1.8579   -0.2544 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9107    3.0954   -0.9563 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5410    3.9241   -0.1222 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