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
    3.3957    0.1401    0.3654 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0058    0.7830    0.3350 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0872   -0.2829    0.1904 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2955   -0.0827    0.1235 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6706    1.1149    0.2008 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2208   -1.1812   -0.0242 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5073   -0.9621   -0.0836 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1069    0.3977   -0.0062 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5356   -2.9412   -0.1297 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.6579   -0.2029   -0.6488 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2734   -0.7876    0.9796 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1501    0.8078    0.7970 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9030    1.4118   -0.5748 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8642    1.3567    1.2628 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1727   -1.8127   -0.1952 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8624    0.8997    0.9753 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7571    1.0475   -0.8476 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2084    0.2938    0.0023 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