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
    2.7280   -1.6202    0.5235 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2507   -0.9483   -0.7411 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7259    0.2882   -0.4956 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2585    0.3900    0.1517 P   0  0  0  0  0  5  0  0  0  0  0  0
    0.2660   -0.0781    1.6400 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1555    2.1494    0.2753 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6184    3.0430   -0.3466 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6199    2.7583    1.2819 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.9579   -0.4820   -0.5323 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1863   -0.1612    0.0915 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2673   -1.0943   -0.3726 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9566   -2.3534    0.8750 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9303   -0.8223    1.3154 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6657   -2.1571    0.3899 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7666   -1.5554   -1.4263 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3200   -0.6799   -1.2470 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4370    2.7613   -0.8979 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3421    4.0745   -0.2732 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0055   -0.2689    1.1492 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4934    0.8765   -0.2485 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2278   -0.7865    0.1160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0038   -2.0970    0.1982 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3484   -1.2368   -1.4264 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