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
   -5.3321   -0.4283   -0.2236 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.7693   -1.1466    0.2014 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6124   -0.1959   -0.1148 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4535   -0.8467    0.2506 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0695    0.0596   -0.0293 P   0  0  0  0  0  5  0  0  0  0  0  0
    0.1608    0.2759   -1.5059 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2499   -0.8128    0.5664 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4162   -0.5110   -0.1602 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5843   -1.2980    0.3842 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0246   -0.8894   -0.5552 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.1046    1.6287    0.8005 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6026    2.6372    0.3304 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5927   -2.1202   -0.3145 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7340   -1.3907    1.3009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7778    0.7600    0.3836 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6426   -0.0283   -1.2280 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2949   -0.7473   -1.2242 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5691    0.5913   -0.0140 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3363   -2.3676    0.3065 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7189   -1.0856    1.4752 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7008    1.7616    1.6866 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2155    2.5370   -0.5625 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6163    3.6171    0.7996 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