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
    3.2078   -1.1711    0.4154 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0039   -0.3187    0.1061 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3768    0.0320    1.3315 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2407    0.3545    0.8324 P   0  0  0  0  0  5  0  0  0  0  0  0
   -1.0693    0.5258    2.1186 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2087    1.7935   -0.0920 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0779    2.9285    0.4046 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5565    1.7433   -2.0069 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.6664   -1.1004    0.1047 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8445   -1.0445   -0.5770 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9910   -1.0005    0.4418 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0680   -0.9764   -0.2033 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4301   -1.1620    1.5216 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8892   -2.2598    0.1977 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3828    0.6616   -0.3621 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3623   -0.7585   -0.6356 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3065    3.1394    1.4767 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1702    3.8645   -0.1857 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9738   -0.3362   -1.3391 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9673   -2.1127   -1.0185 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8876   -1.3355   -0.0367 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7629   -1.5667    1.3473 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1069    0.1000    0.7193 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