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
   -4.8994   -1.2594    0.0348 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.1957   -1.5779   -0.3215 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3737   -0.4323    0.2244 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0267   -0.6914   -0.0613 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0324    0.5483    0.5183 P   0  0  0  0  0  5  0  0  0  0  0  0
   -0.6514    1.0010    1.8445 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4654   -0.0869    0.8605 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1064   -0.6484   -0.2197 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4630   -1.2075    0.1589 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2783   -1.9289   -1.2461 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0173    1.9336   -0.5881 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2870    3.1673   -0.2012 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0276   -1.5685   -1.4350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9330   -2.5408    0.1347 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7297    0.5075   -0.2383 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5310   -0.4092    1.3304 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1681   -0.0151   -1.1035 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4901   -1.5455   -0.5229 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1203   -0.3827    0.5153 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3786   -1.9872    0.9261 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1830    1.7623   -1.6338 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4886    3.3431    0.8472 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3205    4.0186   -0.8636 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