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
   -2.9542    0.7229   -0.1351 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2531   -0.1697    0.8453 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8546   -0.1141    0.7460 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2126   -0.4594   -0.4328 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9546   -0.8195   -1.3906 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2422   -0.4145   -0.5759 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9925   -0.0362    0.4358 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4692    0.0155    0.3094 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0453   -0.9042   -2.2271 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -3.3866    1.6438    0.3558 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8339    0.1801   -0.5350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3004    1.0440   -0.9710 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5066    0.2274    1.8722 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6547   -1.1940    0.7999 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5775    0.2504    1.3915 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7603   -0.4024   -0.6931 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9457   -0.6036    1.0817 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8786    1.0335    0.3453 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