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
   -3.1403    0.5697   -2.4351 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.9307    1.4314   -0.9072 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5341    1.0923   -0.3779 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4991   -0.2749   -0.2038 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0456   -0.8542    0.3739 P   0  0  0  0  0  5  0  0  0  0  0  0
    0.0986   -0.5255    1.8533 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2901   -0.2895   -0.4461 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9260    0.7548    0.2600 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1383    1.2503   -0.5082 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9026    2.5530    0.4085 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0986   -2.6595    0.2641 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6817   -3.3276    1.2536 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6644    1.0260   -0.1852 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0928    2.5080   -0.9820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4060    1.6616    0.5611 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7530    1.4575   -1.0753 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2093    0.3291    1.2397 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1816    1.5609    0.3505 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8532    0.4471   -0.7221 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7587    1.6970   -1.4594 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3276   -3.1794   -0.5747 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7239   -4.4094    1.2068 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1159   -2.8187    2.1057 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