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
   -3.0274    0.2790   -0.0503 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4066   -0.8393    0.7264 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0928   -0.5587    1.1192 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1436   -0.3052    0.1441 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5103   -0.3396   -1.0565 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2380   -0.0075    0.4952 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1232    0.2313   -0.4738 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5366    0.5392   -0.1976 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7760    0.0404    2.3200 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.2701    1.0455   -0.3876 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5144   -0.1330   -0.9633 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7834    0.7957    0.5703 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4886   -1.7982    0.1575 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9952   -1.0114    1.6613 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8129    0.2029   -1.5072 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7623    0.3636    0.8829 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2238   -0.0925   -0.8055 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7595    1.5878   -0.4840 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