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
    3.9902   -1.1568    0.6866 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.4286   -1.0762   -1.0193 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3209   -0.0339   -1.0739 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3136   -0.4775   -0.2099 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0248    0.5864   -0.1757 P   0  0  0  0  0  5  0  0  0  0  0  0
    0.2948    1.8386   -1.0017 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3284   -0.1578   -0.8238 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2270   -0.5692    0.1860 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3964   -1.2215   -0.5351 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5968   -1.7809    0.6431 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.2407    1.1200    1.5046 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0753    2.3180    1.9489 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2711   -0.8185   -1.6971 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9792   -2.0595   -1.2420 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6613    0.9684   -0.8235 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9051   -0.0413   -2.1189 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7355   -1.3380    0.8365 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5663    0.2933    0.7975 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0107   -2.0082   -1.1825 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8954   -0.4529   -1.1658 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6879    0.4032    2.1802 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5257    3.0689    1.3070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1057    2.5952    2.9790 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