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
    3.6088   -0.0614    0.5063 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3184    0.7128    0.3265 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2011   -0.1535    0.2552 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0622    0.3867    0.0911 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1547    1.6335    0.0128 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2669   -0.4294    0.0078 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4420    0.1457   -0.1488 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7042   -0.6303   -0.2404 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2179   -2.3302    0.1175 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7990   -0.7595   -0.3222 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4931   -0.6609    1.4336 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4391    0.6680    0.5753 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2239    1.4184    1.1743 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3896    1.3431   -0.6003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5562    1.2319   -0.2206 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1304   -0.8228    0.7807 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4523   -1.6059   -0.6905 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4862   -0.0860   -0.7943 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