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
    3.3872    2.5504    0.1911 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.5341    0.8707   -0.3949 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3934    0.0869    0.2182 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2087    0.6728   -0.2039 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0776   -0.1901    0.4716 P   0  0  0  0  0  5  0  0  0  0  0  0
   -0.3057    0.3534    1.8607 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4222    0.0364   -0.5214 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2886    0.9716    0.0298 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4607    1.1102   -0.9246 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6286    2.2904   -0.3030 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.3364   -1.9081    0.5845 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2287   -2.8246   -0.2091 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4925    0.8525   -1.5040 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4835    0.4103   -0.0068 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3745   -0.9704   -0.1045 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4738    0.1983    1.3224 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6112    0.6086    1.0084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7785    1.9454    0.1822 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0906    1.4527   -1.9062 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9411    0.1045   -0.9970 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0651   -2.2127    1.3162 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9646   -2.5416   -0.9530 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0487   -3.8678   -0.1124 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