Monomers

Bis(2-chloroethyl)vinyl phosphate

Identifiers

IUPAC name
bis(2-chloroethyl) ethenyl phosphate
InchI
InChI=1S/C6H11Cl2O4P/c1-2-10-13(9,11-5-3-7)12-6-4-8/h2H,1,3-6H2
InchI Key
DDBUOIVTEXFTRT-UHFFFAOYSA-N
SMILES
ClCCOP(=O)(OCCCl)OC=C
Canonical SMILES
C=COP(=O)(OCCCl)OCCCl
Isomeric SMILES
C=COP(=O)(OCCCl)OCCCl
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C6H11Cl2O4P
Heavy Atom Count
13
Molecular Weight
249.03
Exact Molecular Weight
247.9772
Valence Electrons
78
Radical Electrons
0
tPSA
44.76
MolLogP
2.7654
H Bond Acceptors
4
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

 24 23  0  0  0  0  0  0  0  0999 V2000
    3.9633   -1.0317   -1.1051 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.0115   -1.9766    0.0611 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9242   -1.1347    0.6946 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0370   -0.6313   -0.2261 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1141    0.2839    0.6310 P   0  0  0  0  0  5  0  0  0  0  0  0
    0.4090    0.6131    2.0171 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5426   -0.5775    0.8311 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2815   -0.6897   -0.3348 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5262   -1.4861    0.0146 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0384   -3.1038    0.6270 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.3736    1.7805   -0.1591 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4769    2.8377    0.1282 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4180    3.9950   -0.5104 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7256   -2.2413    0.8947 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6433   -2.9181   -0.3555 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4497   -0.2717    1.1817 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3828   -1.6904    1.4688 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6324    0.2935   -0.7136 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7006   -1.2595   -1.0944 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0179   -0.9383    0.8692 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2096   -1.5641   -0.8376 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2453    2.7614    0.9065 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3255    4.1274   -1.2929 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0756    4.8222   -0.2930 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  1  0
 12 13  2  3
  2 14  1  0
  2 15  1  0
  3 16  1  0
  3 17  1  0
  8 18  1  0
  8 19  1  0
  9 20  1  0
  9 21  1  0
 12 22  1  0
 13 23  1  0
 13 24  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers