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
    4.2964   -0.0706   -0.7749 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.2001   -1.3045   -0.1757 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0273   -0.7228    0.5815 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2716    0.1307   -0.2231 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0021    0.6993    0.7615 P   0  0  0  0  0  5  0  0  0  0  0  0
    0.6297    0.9858    2.1173 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1268   -0.5197    0.8873 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1314   -0.4613   -0.0573 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0618   -1.6393    0.2066 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1002   -3.1199    0.0471 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.6701    2.2155    0.1471 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0853    3.1910   -0.2962 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7318   -1.9737    0.5603 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8069   -1.9812   -0.9588 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3488   -0.1342    1.4649 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3691   -1.5140    0.9346 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7536   -0.5948   -1.0967 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7386    0.4572   -0.0180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9140   -1.5959   -0.4895 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3647   -1.5663    1.2744 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7452    2.3329    0.1410 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1566    3.0708   -0.2887 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3195    4.1151   -0.6709 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