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
   -2.5252   -2.7108    1.5816 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.1473   -1.5171    0.4519 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0650   -0.8108   -0.3185 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1777   -0.1257    0.5022 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0480    0.5935   -0.5493 P   0  0  0  0  0  5  0  0  0  0  0  0
   -0.8325    1.0655   -1.7592 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2273   -0.3789   -0.9173 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5260   -1.3441    0.0331 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7246   -2.1858   -0.4145 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0829   -3.4123    0.8220 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.5493    1.9960    0.2558 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7510    3.1751   -0.4411 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7608    4.3344    0.1922 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7625   -2.0678   -0.3084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8479   -0.8030    0.9289 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5777   -0.0324   -0.9428 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5711   -1.4975   -1.0273 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8275   -0.7942    0.9511 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6719   -1.9751    0.2960 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6033   -1.5608   -0.6080 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4010   -2.7286   -1.3449 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8996    3.1325   -1.5059 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6136    4.3909    1.2557 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9162    5.2567   -0.3360 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