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
    3.8728    0.5202    1.4670 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.5530   -0.7357    0.2391 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3709   -0.2493   -0.6044 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3087   -0.0903    0.2565 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0921    0.4420   -0.4866 P   0  0  0  0  0  5  0  0  0  0  0  0
   -0.1490    0.0882   -1.9501 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4045   -0.2055    0.3603 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1580   -1.0679   -0.4250 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2944   -1.5736    0.4509 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5224   -2.4132    1.8404 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.1782    2.2181   -0.3043 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5565    2.7190    0.8660 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4370   -0.9523   -0.3687 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2049   -1.6763    0.7290 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1805   -0.9541   -1.4337 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7134    0.7214   -1.0320 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5636   -0.4947   -1.2900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5859   -1.9611   -0.7496 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8768   -0.7470    0.8859 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8918   -2.3237   -0.0667 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0698    2.8703   -1.1206 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6270    3.7881    1.0345 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8109    2.0773    1.7020 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