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
    2.9950    0.8667   -0.3691 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3112    0.6586    0.9413 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9139    0.7307    0.8861 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1552   -0.1336    0.0921 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8160   -0.9687   -0.5594 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3020   -0.0559    0.0368 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9628   -0.9020   -0.7337 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4421   -0.8998   -0.8547 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2838    1.2184    1.0329 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3534    1.4693   -1.0759 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0866   -0.1290   -0.8550 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9984    1.3157   -0.2821 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6557    1.4513    1.6456 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6837   -0.3026    1.3715 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4367   -1.6349   -1.3098 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9390   -0.5712    0.0810 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7890   -0.2085   -1.6570 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8140   -1.9044   -1.1277 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