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
    4.6926   -1.2046   -0.3563 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.1485   -0.6346   -1.0011 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1665   -0.3139    0.1348 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0043    0.1184   -0.4700 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2097    0.5238    0.6045 P   0  0  0  0  0  5  0  0  0  0  0  0
    0.0305   -0.0609    1.9799 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7263    0.0139    0.0920 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6634   -1.1867   -0.6177 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0586   -1.6165   -1.0657 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1207   -1.8503    0.3375 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.2518    2.3187    0.6940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6011    2.9178    1.8237 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6597   -1.4069   -1.6117 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3571    0.2745   -1.6005 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0598   -1.1730    0.7911 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6679    0.5004    0.7268 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1998   -1.9532    0.0145 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0337   -1.0057   -1.5128 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4741   -0.8813   -1.7834 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9660   -2.5915   -1.5839 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0105    2.8996   -0.1823 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8598    2.3274    2.6888 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6324    3.9848    1.8976 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