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
    3.5635   -3.1356    0.8360 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.1971   -1.8820   -0.3938 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0125   -1.0923    0.1612 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6420   -0.0786   -0.7298 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3283    0.7328   -0.0250 P   0  0  0  0  0  5  0  0  0  0  0  0
    0.4018    0.6235    1.4822 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1156    0.0807   -0.5575 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9623   -0.2687    0.4979 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2371   -0.8481   -0.1304 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3433   -1.3063    1.1809 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.4901    2.4615   -0.4491 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5873    3.1879   -0.6213 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9471   -2.4104   -1.3121 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0844   -1.2341   -0.5072 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3631   -0.6773    1.1354 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1771   -1.8047    0.3215 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4607   -1.0102    1.1321 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2333    0.5905    1.1332 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6779   -0.0643   -0.7598 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0014   -1.7592   -0.7070 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4627    2.9189   -0.5663 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5620    2.7493   -0.5087 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4887    4.2269   -0.8762 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