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
    3.1140    0.1926   -0.2710 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4647   -0.3570    0.9729 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1305   -0.7348    0.7787 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1269    0.1188    0.3742 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4322    1.3213    0.1650 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2606   -0.3525    0.1901 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2130    0.4706   -0.1969 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5992    0.0054   -0.3820 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6920   -2.1779    0.5144 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.8708    1.2635   -0.4094 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2223    0.1272   -0.1723 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8434   -0.3904   -1.1749 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0421   -1.1927    1.3662 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4729    0.4708    1.7330 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0190    1.5236   -0.3954 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6685   -1.0233   -0.7871 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1644    0.6815   -1.0685 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1029    0.0533    0.6048 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