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
   -2.9506   -0.5162    0.1153 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4481    0.8734    0.4429 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1003    0.8150    0.8715 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1707    0.2877   -0.0424 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5670   -0.0984   -1.1701 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2476    0.1991    0.3414 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0878   -0.3004   -0.5415 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5279   -0.3811   -0.1288 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8009    0.7952    2.0575 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.0992   -1.2239    0.1892 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4254   -0.5371   -0.8864 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6599   -0.8137    0.9204 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0793    1.3424    1.2364 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4535    1.5004   -0.4833 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7577   -0.6317   -1.5049 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1186   -0.5236   -1.0478 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6052   -1.3094    0.4939 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8084    0.5226    0.4116 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