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
    5.2976    0.6430    0.0335 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6983    1.3103   -0.2240 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5945    0.2925   -0.0616 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3971    0.9221   -0.2843 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0575   -0.0777   -0.1413 P   0  0  0  0  0  5  0  0  0  0  0  0
   -0.0861   -0.8180   -1.4746 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3082    0.9065    0.0132 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4080    0.2249   -0.4852 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6620    1.0655   -0.3700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0450    0.1704   -1.0127 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.1423   -1.1960    1.2130 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3606   -2.4128    1.1043 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4919    2.1638    0.4551 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6379    1.6579   -1.2956 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6547   -0.2580    0.8951 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7249   -0.4678   -0.8818 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5529   -0.6832    0.1294 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2784   -0.0134   -1.5602 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5371    2.0116   -0.9599 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8942    1.3421    0.6778 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6026   -0.9064    2.1446 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8318   -2.7327    0.1744 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3350   -3.1446    1.9111 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