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
    3.5858    0.6691    2.4638 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.3999    0.7819    0.7414 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6175   -0.3820    0.0640 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3839   -0.3289    0.7108 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0658   -0.2584   -0.3303 P   0  0  0  0  0  5  0  0  0  0  0  0
    0.3882    0.7895   -1.4358 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1554    0.5405    0.6213 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1638    1.0300   -0.1430 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1499    1.7186    0.8041 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4535    2.5173   -0.0288 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.5406   -1.7442   -1.0135 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2516   -2.9964   -0.7842 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7646    1.7035    0.4900 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3234    0.9613    0.1706 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0847   -1.3234    0.5048 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7194   -0.3998   -0.9578 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8405    1.7459   -0.9132 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7861    0.2273   -0.6417 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5324    0.9912    1.5765 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6115    2.4846    1.4412 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4066   -1.5721   -1.7661 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4337   -3.4689   -0.1130 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8749   -3.6866   -1.4610 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