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
   -4.1081   -1.6304   -0.5517 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.6197   -2.4244   -0.0037 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5556   -1.3538    0.1711 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3892   -0.7513   -1.0845 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1942    0.4490   -0.8823 P   0  0  0  0  0  5  0  0  0  0  0  0
   -0.1683    1.3427   -2.1077 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3032   -0.2782   -0.6949 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2020    0.6274   -0.1281 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5755   -0.0278    0.0478 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4137   -1.4397    1.1156 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.6534    1.3978    0.5552 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2467    2.5639    0.3748 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7630   -3.0101    0.9183 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2333   -3.1170   -0.7925 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6252   -1.7372    0.5919 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9772   -0.5770    0.8521 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8557    0.9534    0.8694 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3712    1.4971   -0.7944 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2895    0.7071    0.4442 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9723   -0.3382   -0.9510 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4623    1.0499    1.5579 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5562    3.1996    1.2160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4307    2.8973   -0.6381 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