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
    3.4074    0.2734    0.0803 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0080    0.8121   -0.2324 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0838   -0.2073    0.0863 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2773   -0.0835   -0.0649 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7508    0.9873   -0.5100 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2098   -1.1427    0.2683 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5168   -1.0243    0.1232 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1357    0.2164   -0.3979 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5063   -2.7802    0.9473 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.5546   -0.6584   -0.5172 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5039    0.0126    1.1485 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1810    1.0072   -0.2193 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8816    1.7071    0.4033 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9959    1.0689   -1.3132 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1941   -1.8525    0.3878 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2461    0.1052   -0.4637 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8201    0.4569   -1.4388 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9592    1.1017    0.2224 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