Monomers

2-Bromo-2-butenoic acid ethyl ester

Identifiers

IUPAC name
ethyl (Z)-2-bromobut-2-enoate
InchI
InChI=1S/C6H9BrO2/c1-3-5(7)6(8)9-4-2/h3H,4H2,1-2H3/b5-3-
InchI Key
YHGVZVYRHWZVKI-HYXAFXHYSA-N
SMILES
CCOC(=O)/C(=C/C)/Br
Canonical SMILES
CCOC(=O)C(=CC)Br
Isomeric SMILES
CCOC(=O)/C(=C/C)/Br
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C6H9BrO2
Heavy Atom Count
9
Molecular Weight
193.04
Exact Molecular Weight
191.9786
Valence Electrons
52
Radical Electrons
0
tPSA
26.3
MolLogP
1.8482
H Bond Acceptors
2
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

 18 17  0  0  0  0  0  0  0  0999 V2000
    3.4357    0.1139   -0.0668 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0235    0.4451   -0.4893 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0751   -0.3612    0.1816 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2701   -0.1346   -0.1382 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5617    0.7492   -0.9821 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3460   -0.8802    0.4660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5888   -0.6617    0.1620 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0465    0.3558   -0.8195 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9117   -2.2161    1.7408 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.1109    0.7876   -0.6501 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6596   -0.9366   -0.3262 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5959    0.3607    0.9890 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8177    1.5295   -0.3888 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9214    0.1837   -1.5822 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3525   -1.2501    0.6458 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1630    0.3536   -0.9102 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7446    1.3651   -0.4636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6549    0.1965   -1.8322 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
  7  8  1  0
  6  9  1  0
  1 10  1  0
  1 11  1  0
  1 12  1  0
  2 13  1  0
  2 14  1  0
  7 15  1  0
  8 16  1  0
  8 17  1  0
  8 18  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers