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
   -3.5102   -0.3187    0.6825 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3916   -0.1915   -0.2987 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1250   -0.1115    0.3256 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0101    0.0096   -0.4545 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1805    0.0407   -1.7182 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3532    0.0985    0.0998 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3611    0.2111   -0.7320 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7366    0.3020   -0.1614 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6372    0.0528    1.9696 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -4.4080   -0.7564    0.1691 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2392   -0.8630    1.5902 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8032    0.7135    1.0072 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4821    0.7165   -0.9378 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4375   -1.0613   -1.0117 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2011    0.2376   -1.8043 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8105    1.1215    0.5677 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9732   -0.6726    0.3259 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4942    0.4713   -0.9367 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