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
   -3.0322    0.7777    0.5013 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3430   -0.3888   -0.1784 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9540   -0.1393   -0.0972 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0080   -1.0128   -0.6241 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4578   -2.0457   -1.1815 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4261   -0.7399   -0.5317 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8706    0.3495    0.0575 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3108    0.6265    0.1519 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6730   -1.9718   -1.2709 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -4.1313    0.7441    0.3363 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7690    0.7329    1.5771 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5808    1.7225    0.1124 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6439   -1.3353    0.2772 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7126   -0.4025   -1.2289 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1845    1.0639    0.4847 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6308    1.5231   -0.4118 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6144    0.7138    1.2265 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9226   -0.2178   -0.2507 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