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
   -4.4544   -0.8130   -0.8343 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.2752   -1.6482    0.1785 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9791   -0.8737    0.2855 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3869   -0.6836   -0.9620 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0380    0.1827   -0.7265 P   0  0  0  0  0  5  0  0  0  0  0  0
    0.2132    0.6007    0.7233 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3629   -0.7527   -1.1739 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3654   -0.6937   -0.1977 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5062   -1.5689   -0.7026 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8450   -1.5677    0.4683 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0369    1.6312   -1.6595 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7383    2.6873   -1.0848 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2310    3.4016   -0.0844 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0739   -2.6361   -0.2804 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6941   -1.7345    1.1987 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1138    0.1058    0.7498 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2516   -1.4518    0.8909 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7060    0.3501   -0.0358 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0008   -1.0736    0.7770 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0941   -2.5845   -0.8750 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9175   -1.1811   -1.6551 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7117    2.8924   -1.4950 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7270    3.2039    0.3232 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8292    4.2074    0.3146 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