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
   -2.6076   -2.8754    0.2333 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.2635   -1.2282    0.2064 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0800   -0.2664    0.3553 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2424   -0.5022   -0.7112 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1251    0.4492   -0.7436 P   0  0  0  0  0  5  0  0  0  0  0  0
    0.1576    1.1155   -2.1246 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4774   -0.5326   -0.6477 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1593   -0.4413    0.5376 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481   -1.4036    0.4295 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6169   -3.0240    0.1665 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.1149    1.7493    0.4574 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3647    2.9511    0.1508 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7457   -1.0579   -0.7948 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0121   -1.0745    0.9981 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5793   -0.5060    1.3057 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4804    0.7510    0.4146 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6154    0.5649    0.6937 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5595   -0.6922    1.4320 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8615   -1.1535   -0.5276 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9933   -1.3749    1.3014 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4955    1.6190    1.4812 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7586    3.1595   -0.8391 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3899    3.7732    0.8540 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