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
   -3.9615   -2.6027    0.4666 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.8343   -1.7617   -0.6153 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9320   -0.8144    0.1461 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0707   -0.1832   -0.7478 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0511    0.8817    0.0790 P   0  0  0  0  0  5  0  0  0  0  0  0
   -0.1319    0.6051    1.5689 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5520    0.5330   -0.3806 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6772   -0.8546   -0.3310 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0724   -1.2919   -0.7225 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2430   -0.5627    0.4112 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.4606    2.5759   -0.2295 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4513    3.5093   -0.0045 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3985   -1.2112   -1.3742 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2014   -2.5100   -1.1495 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3995   -1.3127    0.9676 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5664   -0.0165    0.6007 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9487   -1.2593   -1.0754 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4064   -1.1777    0.6901 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2807   -0.8417   -1.7251 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1423   -2.3801   -0.7177 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4424    2.8282   -0.5951 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4308    3.2759    0.3585 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2455    4.5713   -0.1801 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