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
   -2.9125    0.5779    0.1410 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2101   -0.6034    0.7293 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8179   -0.4168    0.6077 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2615   -0.2699   -0.6468 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9497   -0.2962   -1.6874 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1804   -0.0788   -0.7347 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9548   -0.0428    0.3285 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4047    0.1542    0.1583 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9970    0.1300   -2.4636 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.2453    1.2087   -0.4542 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2859    1.2053    0.9807 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7653    0.2862   -0.5383 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5130   -0.7551    1.7827 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4555   -1.5459    0.1981 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5203   -0.1574    1.3068 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7486   -0.1918   -0.8524 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0061   -0.4471    0.8850 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6048    1.2429    0.2593 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