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
    3.0745    0.2554    0.4667 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2213    1.4213    0.1013 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8427    1.2174    0.3406 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1085    0.2183   -0.2511 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7571   -0.5382   -1.0520 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3058   -0.0019   -0.0144 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9896   -0.9633   -0.5905 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4343   -1.1962   -0.3552 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2206    1.1530    1.1863 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.8261   -0.1579    1.4688 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1291    0.5942    0.5228 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0438   -0.5719   -0.2943 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3124    1.5551   -1.0168 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6080    2.3329    0.5469 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4801   -1.6234   -1.2729 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7135   -0.8430    0.6570 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7318   -2.2470   -0.4838 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0480   -0.6050   -1.0706 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