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
   -2.5894    0.5183   -0.2293 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6122    0.3739    0.9111 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3166    0.0723    0.4997 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0331   -1.0476   -0.2154 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8298   -1.8726   -0.5380 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4135   -1.2427   -0.5803 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3710   -0.3787   -0.2524 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1147    0.8538    0.5110 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8535   -2.8153   -1.5749 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -3.0844    1.5139   -0.2235 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0358    0.4187   -1.1758 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3492   -0.2931   -0.1764 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5602    1.3489    1.4705 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9447   -0.4538    1.5973 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660   -0.6003   -0.5621 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0483    1.4381    0.5813 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6940    0.6744    1.5220 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4282    1.4917   -0.1211 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