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
   -3.0345    0.3793   -0.1992 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9875    0.7007   -1.2273 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6745    0.6320   -0.7090 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1742   -0.5472   -0.1730 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9472   -1.5362   -0.1760 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1823   -0.6350    0.3676 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0090    0.3835    0.3823 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3673    0.2576    0.9347 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7594   -2.3124    1.0790 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.6317    0.1929    0.8090 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6342   -0.5113   -0.5479 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7836    1.2006   -0.0846 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1180    0.0573   -2.1280 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1484    1.7508   -1.5639 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6899    1.3250   -0.0152 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8306   -0.6576    0.4859 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3188    0.0769    2.0320 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9765    1.1610    0.7337 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