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
   -2.8676   -1.5924    0.1701 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1045   -0.2644    0.1587 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7755   -0.5581    0.2833 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2355    0.7642    0.2924 P   0  0  0  0  0  5  0  0  0  0  0  0
    0.4706    1.3154    1.6748 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3785    1.9996   -0.8276 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5941    3.2415   -0.4399 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7255    1.4850   -2.6325 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.7644    0.2509   -0.2792 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0774   -0.9163    0.4553 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4294   -1.3759   -0.0456 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6312   -2.0683   -0.8177 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4943   -2.1941    1.0212 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9582   -1.4318    0.2684 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2817    0.1644   -0.8539 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5084    0.3993    0.9234 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4023    3.5508    0.5816 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9688    3.9797   -1.1388 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3125   -1.6880    0.3307 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2109   -0.5843    1.5057 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0930   -0.4985   -0.0611 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8346   -2.2284    0.5227 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2622   -1.7503   -1.0921 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