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
   -3.2086   -0.5523   -0.3456 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2625    0.5377    0.0258 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9170    0.1345    0.0250 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0773    1.0220    0.3455 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2687    2.2017    0.6372 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4924    0.6707    0.3643 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9012   -0.5424    0.0686 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3271   -0.9163    0.0821 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8071    1.9694    0.8220 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.7810   -1.5553   -0.2541 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5557   -0.4193   -1.3877 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1452   -0.5527    0.2829 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5191    0.9569    1.0338 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3650    1.3889   -0.7005 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1792   -1.2962   -0.1938 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6137   -1.4770    0.9989 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0036   -0.0202    0.0613 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6210   -1.5500   -0.7894 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