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
   -2.5878    0.4727    0.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7440   -0.7797   -0.0905 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3713   -0.4471   -0.1159 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1651    0.3411   -1.1025 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6166    0.7622   -1.9937 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5868    0.6657   -1.0994 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4363    0.2468   -0.1883 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9650   -0.6103    0.9227 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3075    1.7798   -2.5067 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -3.3580    0.3105    0.7545 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9172    1.3144    0.2692 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0027    0.6789   -1.0140 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8983   -1.4067    0.8151 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0250   -1.3983   -0.9759 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860    0.5429   -0.2697 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1970   -0.0752    1.5233 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8725   -0.8320    1.5624 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5049   -1.5657    0.5949 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