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
   -3.0915   -0.3249    0.0089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4183    0.9894    0.2926 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0500    0.8115    0.5980 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1436    0.2437   -0.2606 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5018   -0.1507   -1.3804 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2398    0.1169    0.1731 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1477   -0.4252   -0.6240 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5597   -0.5791   -0.2392 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8181    0.7152    1.8901 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.4983   -1.1991    0.3333 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0613   -0.3959    0.5654 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2693   -0.4125   -1.0941 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5032    1.7201   -0.5147 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8848    1.4484    1.1973 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8469   -0.7732   -1.6040 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6344   -0.6348    0.8854 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1302    0.3098   -0.6044 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0452   -1.4596   -0.7079 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