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
   -2.9243   -0.1766   -0.5221 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5009    0.1102    0.9207 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1867    0.6325    0.8612 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1633   -0.1342    0.3080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4623   -1.2613   -0.1140 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2060    0.3424    0.2167 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1383   -0.4219   -0.3157 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5253    0.0752   -0.4020 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6389    2.0771    0.8722 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -4.0109    0.0834   -0.6147 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7170   -1.2186   -0.8101 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3917    0.5017   -1.2227 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1691    0.8910    1.3285 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4652   -0.8114    1.5182 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9285   -1.4187   -0.7009 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6694    0.8447    0.3845 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2794   -0.7334   -0.3239 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6057    0.6177   -1.3838 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