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
    2.8363    1.2393   -0.3153 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3342   -0.1400    0.0620 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9279   -0.0699    0.1194 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1273   -1.1576    0.4385 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7248   -2.2417    0.6819 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3118   -1.0327    0.4837 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8755    0.1208    0.2209 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3449    0.3388    0.2441 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4040   -2.5230    0.9207 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.9409    1.2206   -0.1455 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5585    1.4912   -1.3419 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3770    1.9955    0.3563 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5783   -0.8538   -0.7668 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7962   -0.5008    0.9766 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2228    0.9495   -0.0245 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6335    0.7092   -0.7604 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5496    1.0671    1.0519 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8594   -0.6126    0.4715 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