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
    4.4886    0.0788    0.4161 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.4637   -0.8685   -0.6686 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0180   -0.6955   -0.2650 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6529    0.6572   -0.3464 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0298    0.7507    0.1209 P   0  0  0  0  0  5  0  0  0  0  0  0
   -0.1243    0.7374    1.6180 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7469   -0.6244   -0.4798 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0242   -0.7841    0.0928 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5916   -2.0491   -0.5394 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2130   -2.3176    0.1387 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.7491    2.2148   -0.5799 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4818    3.4183   -0.1212 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7167   -1.9462   -0.5059 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5888   -0.6246   -1.7255 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3576   -1.3223   -0.9104 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8507   -1.0509    0.7727 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8857   -0.8818    1.1788 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6066    0.0950   -0.2189 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8960   -2.8698   -0.3388 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6490   -1.8407   -1.6341 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4534    2.1070   -1.3966 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9601    4.2731   -0.5572 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2147    3.5433    0.6888 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