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
    3.0195    0.3846   -0.5304 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4715   -0.4096    0.6067 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1610   -0.1175    0.9582 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1457   -0.2786    0.0350 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4642   -0.6916   -1.1062 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2468    0.0231    0.3820 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2272   -0.1233   -0.4815 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6045    0.1983   -0.0667 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6159    0.6493    2.1600 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.6606    0.0039   -1.5019 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1348    0.2525   -0.5358 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8567    1.4769   -0.4192 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1191   -0.2077    1.5068 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6312   -1.4856    0.3772 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0488   -0.4711   -1.4799 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7253    0.0577    1.0399 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9024    1.2362   -0.3196 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2934   -0.4975   -0.6030 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