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
   -3.7940   -3.0218   -0.7704 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.2820   -1.5228   -0.0092 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8827   -1.1047   -0.4018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5927    0.0707    0.2488 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0477    0.6442   -0.1096 P   0  0  0  0  0  5  0  0  0  0  0  0
    0.1338    0.9014   -1.5781 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0682   -0.5003    0.4252 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3573   -0.0588    0.1041 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3090   -1.1417    0.6171 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8931   -2.6409   -0.2103 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.2366    2.1714    0.7624 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6654    3.1535    0.7785 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2961   -1.6008    1.0987 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9542   -0.6744   -0.3304 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1850   -1.9150   -0.0389 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7501   -1.0728   -1.4944 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3974    0.0284   -0.9875 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5432    0.8704    0.6500 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1260   -1.2777    1.7000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3274   -0.7788    0.3845 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1634    2.3425    1.3093 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6076    3.0447    0.2535 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4975    4.0832    1.3067 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