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
    3.0421   -1.6800    0.4405 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8828   -0.8880   -0.1087 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2979   -0.0774    0.8623 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0152    0.7568    0.1263 P   0  0  0  0  0  5  0  0  0  0  0  0
    0.0189    0.5363   -1.3685 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1741    2.5294    0.4496 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2284    3.3785   -0.5495 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2649    3.1903    2.2344 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.4139    0.1585    0.8310 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9819   -0.7086   -0.1282 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2591   -1.3112    0.3680 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3512   -2.4027   -0.3476 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8801   -1.0125    0.7258 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6677   -2.2439    1.3211 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2592   -0.2046   -0.9004 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1671   -1.6151   -0.5435 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1781    3.0167   -1.5575 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3222    4.4272   -0.3665 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1742   -0.0585   -1.0282 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2234   -1.4411   -0.4199 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1990   -1.4572    1.4622 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4142   -2.2777   -0.1726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0841   -0.6152    0.1504 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