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
    2.9392   -0.5442   -0.8913 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5462   -0.0649    0.4874 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2729    0.5590    0.4930 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1213   -0.1050    0.1075 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2626   -1.3082   -0.2538 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1946    0.5265    0.1090 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2453   -0.1756   -0.2734 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5853    0.4611   -0.2738 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3863    2.3338    0.6547 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.4830   -1.5080   -1.1494 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7350    0.1858   -1.6841 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0525   -0.7084   -0.8804 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6019   -0.9319    1.1681 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2790    0.6804    0.8605 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1381   -1.2045   -0.5844 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7190    0.9869   -1.2610 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3667   -0.3296   -0.2565 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6582    1.1469    0.5827 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