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
   -2.9144   -0.2403   -0.8942 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5473    0.1380    0.5248 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2433    0.6766    0.5840 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1682   -0.1026    0.1681 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4195   -1.2737   -0.2487 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1950    0.3754    0.1978 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1749   -0.3877   -0.2014 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5669    0.1299   -0.1599 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5546    2.1214    0.8209 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -3.8581    0.2732   -1.2015 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1321    0.0696   -1.6130 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0896   -1.3239   -0.9723 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6437   -0.7739    1.1762 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2593    0.9156    0.9175 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0368   -1.4002   -0.5706 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2420   -0.4582   -0.8216 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5140    1.1868   -0.5236 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9911    0.0742    0.8648 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