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
    3.1146   -0.1139    0.3495 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3635    0.7883   -0.6134 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0312    0.9893   -0.2535 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0814   -0.0141   -0.1249 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4664   -1.1883   -0.3535 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2835    0.2989    0.2557 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1392   -0.6921    0.3618 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5723   -0.4694    0.7497 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8054    2.0884    0.5877 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.1677   -0.1647   -0.0439 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6723   -1.1169    0.4153 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1501    0.3746    1.3590 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4864    0.3931   -1.6401 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8728    1.7875   -0.5442 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8685   -1.7217    0.1783 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1639   -0.4141   -0.1807 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6485    0.4979    1.3059 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9251   -1.3227    1.3483 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