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
   -3.0580    0.1852   -0.1430 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2161   -1.0005    0.2439 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8364   -0.7814    0.0089 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1590    0.2459    0.6271 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8035    0.9802    1.4041 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2649    0.5357    0.4353 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0190   -0.1860   -0.3642 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4453    0.1450   -0.5238 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0995    1.9925    1.3493 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -3.1561    0.9088    0.7087 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0956   -0.1822   -0.3342 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6901    0.6507   -1.0563 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3809   -1.2993    1.2830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5368   -1.8484   -0.4068 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5554   -1.0097   -0.8835 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0970   -0.4694    0.1559 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6846    1.1910   -0.3313 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7668   -0.0582   -1.5849 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