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
   -3.4586   -0.5678    0.1277 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2107    0.0118    0.7280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0967   -0.1598   -0.0917 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2447    0.5232    0.6717 P   0  0  0  0  0  5  0  0  0  0  0  0
    0.1941    0.2837    2.1811 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2745    2.2963    0.4433 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1982    2.8851   -0.3005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0787    3.3525    1.3093 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.6970   -0.1080    0.0860 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6442   -1.4954   -0.0420 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9682   -1.9715   -0.5657 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6498   -1.5575    0.6358 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3978   -0.6844   -0.9729 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3327    0.0658    0.3810 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9933   -0.3851    1.7303 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3868    1.1132    0.8411 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9485    2.2637   -0.7764 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1930    3.9478   -0.4205 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8176   -1.7231   -0.7388 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4804   -1.9361    0.9675 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0549   -1.6233   -1.6169 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1055   -3.0646   -0.4692 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7844   -1.4665   -0.0053 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