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
   -3.5654   -0.3818   -0.5558 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4046   -0.0204    0.3151 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1601   -0.1799   -0.3394 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0097    0.1173    0.3437 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1040    0.5242    1.5427 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3251   -0.0089   -0.2252 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4056    0.2835    0.4578 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7602    0.1561   -0.1206 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5299   -0.6139   -2.0134 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -3.4870    0.2574   -1.4804 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4927   -0.1309    0.0020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6213   -1.4489   -0.8054 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3811   -0.6023    1.2575 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4941    1.0794    0.5351 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2876    0.6275    1.4748 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5076    0.7126    0.4811 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1078   -0.9161   -0.1275 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7769    0.5449   -1.1818 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