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
    3.2419   -2.9057    0.2344 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.3830   -1.1753   -0.2038 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9919   -0.5892   -0.3154 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3975   -0.7569    0.9568 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1683   -0.1374    0.9580 P   0  0  0  0  0  5  0  0  0  0  0  0
   -0.5915    0.1999    2.3648 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2414   -1.3180    0.3857 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2474   -0.6491   -0.3092 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2577   -1.6361   -0.8592 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4363   -2.7491   -1.9554 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.2265    1.2031   -0.0821 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1720    2.5198    0.3389 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4748    3.3714   -0.4341 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9966   -0.6665    0.5520 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8545   -1.0976   -1.2050 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3734   -1.1507   -1.0145 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0251    0.4908   -0.4963 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7138    0.0538    0.4136 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7612   -0.0592   -1.0954 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1076   -1.1231   -1.3521 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6950   -2.1932   -0.0023 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6172    2.8813    1.2412 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9505    3.0648   -1.3671 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5467    4.4222   -0.1466 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