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
    3.2659   -0.5786    2.0457 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.7302   -1.7700    0.8439 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0465   -1.0813   -0.3439 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9644   -0.4023    0.1762 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0789    0.4250   -0.9829 P   0  0  0  0  0  5  0  0  0  0  0  0
    0.6609    0.3311   -2.3542 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4953   -0.2160   -0.9123 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8386   -0.2873    0.4329 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2343   -0.8489    0.6257 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5981   -0.9080    2.3658 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0657    2.1321   -0.4271 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2317    3.1545   -1.1810 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6194   -2.2746    0.4405 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0510   -2.4965    1.3108 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7439   -0.4788   -0.9199 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6423   -1.8984   -0.9842 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1472   -0.9678    1.0029 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7261    0.7079    0.8945 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2851   -1.8690    0.2206 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9310   -0.1418    0.1317 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4219    2.2546    0.5916 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1208    4.1512   -0.7815 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5876    3.0628   -2.1959 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