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
   -3.0234   -0.2837    0.2978 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1742    0.9532    0.0501 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8128    0.6249   -0.0825 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0810   -0.0055    0.9312 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7194   -0.2660    1.9839 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3322   -0.3313    0.7577 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9256   -0.0245   -0.3754 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3516   -0.3090   -0.6562 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2210   -1.1837    2.1963 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.6752   -1.1364   -0.3191 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0777   -0.0719   -0.0122 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9666   -0.4973    1.3797 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4754    1.4448   -0.9059 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3771    1.6803    0.8578 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800    0.4623   -1.1713 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4368   -0.6558   -1.6987 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7904   -1.0484    0.0315 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9452    0.6482   -0.6018 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