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
    3.5285    2.4529    0.2751 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7216    0.7013    0.5144 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5610    0.0220   -0.2060 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3925    0.4989    0.3754 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0335   -0.1969   -0.3560 P   0  0  0  0  0  5  0  0  0  0  0  0
   -0.0142    0.1080   -1.8316 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3490    0.3070    0.4540 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1763    1.0972   -0.3288 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3746    1.4654    0.5515 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2264   -0.0019    1.0813 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.1558   -1.9698   -0.1794 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9263   -2.7332   -0.1018 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7028    0.3791    0.1029 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6557    0.4557    1.5969 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7043   -1.0704   -0.0320 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5784    0.2743   -1.2735 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7058    2.0046   -0.7146 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5924    0.5238   -1.2011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0356    2.1902    0.0668 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9952    1.9597    1.4867 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1541   -2.4157   -0.1363 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9026   -3.8048    0.0050 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8901   -2.2474   -0.1489 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