Monomers

Phosphonic acid, (1-bromoethenyl)-, diethyl ester

Identifiers

IUPAC name
1-bromo-1-diethoxyphosphorylethene
InchI
InChI=1S/C6H12BrO3P/c1-4-9-11(8,6(3)7)10-5-2/h3-5H2,1-2H3
InchI Key
SQMBBBWHQORDNI-UHFFFAOYSA-N
SMILES
CCOP(=O)(C(=C)Br)OCC
Canonical SMILES
CCOP(=O)(C(=C)Br)OCC
Isomeric SMILES
CCOP(=O)(C(=C)Br)OCC
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C6H12BrO3P
Heavy Atom Count
11
Molecular Weight
243.037
Exact Molecular Weight
241.9707
Valence Electrons
66
Radical Electrons
0
tPSA
35.53
MolLogP
3.1186
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
   -2.3825   -2.0423    0.8783 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6880   -1.2475   -0.2030 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3154   -1.2126   -0.0480 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3249   -0.2971   -1.3176 P   0  0  0  0  0  5  0  0  0  0  0  0
   -0.3116   -0.6816   -2.6286 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0860   -0.5840   -1.3919 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6573   -0.6733   -2.5804 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1663   -0.7651    0.1558 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.0797    1.3403   -0.9652 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3922    1.5012    0.3835 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2185    2.9244    0.8442 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2845   -3.1220    0.6955 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4744   -1.7991    0.8260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0113   -1.7694    1.8855 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0527   -0.1874   -0.1603 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9161   -1.6712   -1.1870 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7236   -0.8468   -2.6884 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0695   -0.5745   -3.4810 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1748    0.7696    0.9876 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4647    1.2192    0.4880 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7574    3.0508    1.8014 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5354    3.6090    0.0495 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8643    3.0594    1.0677 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  2  0
  4  6  1  0
  6  7  2  3
  6  8  1  0
  4  9  1  0
  9 10  1  0
 10 11  1  0
  1 12  1  0
  1 13  1  0
  1 14  1  0
  2 15  1  0
  2 16  1  0
  7 17  1  0
  7 18  1  0
 10 19  1  0
 10 20  1  0
 11 21  1  0
 11 22  1  0
 11 23  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers