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
    4.6698   -0.8653    0.7233 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.1673   -0.9200   -0.2578 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1037   -0.2072    0.5379 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8822   -0.1769   -0.1118 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2118    0.6458    0.8842 P   0  0  0  0  0  5  0  0  0  0  0  0
    0.3244    0.6642    2.3163 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6822   -0.1784    0.9369 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8123   -1.0845   -0.1131 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1830   -1.7448    0.0728 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4744   -0.5320    0.0186 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.4137    2.3425    0.3912 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1163    2.7859   -0.8164 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3864   -0.3953   -1.2193 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9367   -1.9940   -0.4083 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4831    0.8106    0.7546 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0461   -0.7242    1.5247 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7592   -0.6313   -1.1031 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0401   -1.8771   -0.0433 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2163   -2.3136    1.0238 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3376   -2.5070   -0.7369 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7980    3.0334    1.1214 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2709    2.0722   -1.5405 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2259    3.7970   -1.1434 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