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
   -4.0282   -2.0682   -0.6052 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.8575   -2.0500    0.7184 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9019   -0.8562    0.5821 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2593   -1.0222   -0.6403 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1605    0.2011   -0.9715 P   0  0  0  0  0  5  0  0  0  0  0  0
   -0.4924    0.7339   -2.3681 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3784   -0.4951   -1.0245 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3337    0.3386   -0.4455 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7127   -0.2845   -0.4926 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7384   -1.8356    0.3877 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.2552    1.5403    0.1957 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1560    2.4934    0.0399 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2883   -3.0041    0.6718 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3521   -2.0288    1.7113 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1793   -0.8296    1.4008 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5145    0.0456    0.6311 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3659    1.2603   -1.0609 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1210    0.5649    0.6117 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9845   -0.4873   -1.5360 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4635    0.3722   -0.0178 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4144    1.5966    1.0419 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8693    2.5168   -0.7820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1981    3.2980    0.7586 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