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
   -2.9811    0.0874    0.6327 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0891    1.0340   -0.1346 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7305    0.6963   -0.0636 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2598   -0.5147   -0.5177 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1173   -1.3106   -1.0040 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1266   -0.9060   -0.4657 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0535   -0.1071    0.0331 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4732   -0.4739    0.1012 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6835   -2.6070   -1.1203 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -3.1004   -0.8916    0.1616 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6871    0.0067    1.6972 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0004    0.5656    0.6415 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2070    2.0397    0.3465 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4594    1.1229   -1.1595 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7501    0.8722    0.4127 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9388    0.0542    0.9578 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5796   -1.5714    0.3354 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0267   -0.2817   -0.8544 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