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
   -2.7518   -0.3060    1.3128 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3347   -0.1640   -0.1149 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9957    0.1469   -0.3093 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0063   -0.7111    0.1541 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3949   -1.7532    0.7416 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4063   -0.4497   -0.0138 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7782    0.6457   -0.6308 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2215    0.9810   -0.8404 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6798   -1.6797    0.6527 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -3.8802   -0.3539    1.3174 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3979   -1.2066    1.8160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5028    0.6388    1.8417 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6776   -1.0555   -0.6991 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9369    0.6911   -0.5432 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0741    1.3707   -1.0244 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5041    0.7249   -1.8796 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3362    2.0610   -0.6205 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8784    0.4197   -0.1418 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