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
   -4.6353    0.8044   -0.4549 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.0345    1.5121   -0.1039 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0836    0.4377    0.2411 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8054    0.8291    0.5372 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2654   -0.3598    0.9238 P   0  0  0  0  0  5  0  0  0  0  0  0
    0.1707   -0.6058    2.4356 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8412    0.1866    0.6470 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9981    0.6620   -0.6535 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4562    1.1179   -0.7597 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7186    1.7397   -2.4118 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0521   -1.9173    0.1231 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3387   -3.0131    0.7865 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7704    2.1414   -0.9460 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1953    2.1795    0.7901 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0218   -0.2834   -0.6168 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4733   -0.1576    1.0927 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3333    1.5612   -0.7607 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7857   -0.1019   -1.4215 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1078    0.2643   -0.5213 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6652    1.9486   -0.0732 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0062   -1.9580   -0.9492 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5196   -3.9224    0.2330 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4061   -3.0651    1.8623 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