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

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
   -2.6143    0.4338    0.3397 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2116   -0.8862   -0.2830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9210   -1.2282    0.2139 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1659   -0.4164    0.0111 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0526    0.6410   -0.6376 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4466   -0.8136    0.5368 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5568   -0.1122    0.4019 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4674    1.1686   -0.3426 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5552   -2.4783    1.5027 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.8442    0.7914    1.0823 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6008    0.2850    0.8684 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6991    1.2107   -0.4462 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8941   -1.6935    0.0101 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2163   -0.8365   -1.3910 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4818   -0.4788    0.8266 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7680    1.8154    0.1899 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1225    0.9614   -1.3763 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4898    1.6363   -0.4271 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