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
    2.5750    0.5997    0.2036 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3180    1.0843    0.8985 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1568    0.4706    0.4345 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0150   -0.9041    0.5341 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9726   -1.5327    1.0531 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1781   -1.5953    0.0648 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1910   -0.9561   -0.4811 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1843    0.5118   -0.6545 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2464   -3.5082    0.2632 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.9707   -0.3212    0.7123 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4107    0.4345   -0.8768 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3362    1.3833    0.3234 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4527    1.0372    1.9862 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2345    2.1801    0.6399 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0523   -1.5065   -0.8137 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1209    0.9671    0.3592 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3453    0.8040   -1.3178 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1240    0.8515   -1.1619 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