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
    3.3826    0.8166   -0.5689 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0613    0.6802    0.1813 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5601   -0.5864   -0.0483 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0886   -0.7091    0.7996 P   0  0  0  0  0  5  0  0  0  0  0  0
    0.4706   -0.6674    2.2839 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6655   -2.2757    0.5016 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5962   -2.7330    1.3207 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0979   -3.2757   -1.0262 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.9090    0.5934    0.5096 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5669    0.5687   -0.6900 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4171    1.8465   -0.7458 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1300    0.2381    0.0069 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6683    1.8792   -0.7107 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2412    0.2854   -1.5377 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2352    0.9166    1.2391 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3438    1.4452   -0.2156 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0925   -3.6900    1.1841 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8800   -2.1398    2.1596 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9048    0.6261   -1.5807 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2395   -0.2807   -0.8357 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7955    2.7133   -0.4065 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7541    2.0300   -1.7800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2628    1.7185   -0.0405 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