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
   -3.5320    0.3435    0.0042 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3771   -0.6282   -0.1207 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1778    0.0861    0.1075 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0688   -0.5212    0.0643 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1712   -1.7514   -0.1844 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2871    0.2579    0.3072 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4690   -0.3170    0.2665 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6853    0.4931    0.5157 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1586    2.1186    0.6852 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -3.4643    0.8386    0.9959 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4662   -0.2618   -0.0098 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5050    1.0851   -0.8220 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3935   -1.1897   -1.0506 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5240   -1.3774    0.7086 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6192   -1.3672    0.0584 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6564    1.4385   -0.0919 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6126   -0.0641    0.3386 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7117    0.8167    1.5917 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