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
    3.0313   -1.7848    1.3841 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.0986   -1.3193   -0.3120 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7678   -0.6561   -0.6647 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5590    0.4715    0.1279 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0561    1.1187   -0.3547 P   0  0  0  0  0  5  0  0  0  0  0  0
    0.3531    1.9780   -1.5806 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0095   -0.1110   -0.8029 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6088   -0.6721    0.3199 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5597   -1.7719   -0.1034 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6489   -3.0245   -0.9793 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.6477    2.0920    0.9556 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6937    3.4012    0.8469 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646   -2.1667   -1.0040 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9225   -0.5898   -0.5203 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8366   -0.4073   -1.7437 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9884   -1.4334   -0.5010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8709   -1.1511    0.9924 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0952    0.1268    0.8763 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3835   -1.3762   -0.7148 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9148   -2.2521    0.8435 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0269    1.5841    1.8227 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1132    4.0380    1.6189 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3052    3.9058   -0.0389 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