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
   -4.0470   -2.3228   -0.3621 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.2061   -0.9045    0.0926 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6908   -1.1497    0.1617 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1164    0.1039    0.5637 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0570    0.6068   -0.6747 P   0  0  0  0  0  5  0  0  0  0  0  0
   -0.6509   -0.0416   -1.9631 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4492    0.0908   -0.5830 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8261   -0.8536    0.2756 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1916   -1.4397   -0.0753 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4147   -0.1781    0.0568 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.3212    2.3759   -0.8450 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4238    3.3898   -0.6546 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3825   -0.1398   -0.7559 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5381   -0.4278    0.9897 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2331   -1.6222   -0.6786 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5963   -1.7871    1.1011 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8920   -0.3442    1.2951 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0610   -1.6401    0.3534 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4427   -2.3248    0.5279 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0830   -1.8376   -1.1655 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4172    2.6559   -1.2082 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0231    4.4206   -0.8049 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4494    3.3697   -0.4325 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