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
    3.0507    0.4060   -0.0129 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4344   -0.9673   -0.0050 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0799   -0.9596    0.3637 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1281   -0.2666   -0.3459 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5364    0.3744   -1.3632 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2696   -0.2253   -0.0124 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1361    0.4592   -0.7339 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5844    0.5229   -0.4177 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8771   -1.1858    1.5108 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.6778    1.0546    0.7978 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9034    0.8265   -1.0255 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1438    0.2869    0.1235 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5049   -1.4020   -1.0122 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9960   -1.5880    0.7199 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8107    1.0117   -1.6034 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8576   -0.2813    0.2940 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7874    1.4979    0.0951 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1325    0.4360   -1.3748 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