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
   -3.1684    0.3299    0.7555 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2789   -0.3856   -0.2092 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9137   -0.0807   -0.0306 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0251   -0.6646   -0.8462 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3633   -1.4542   -1.7283 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4603   -0.3977   -0.7220 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9305    0.4209    0.1835 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3713    0.6747    0.2917 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6904   -1.2438   -1.8868 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.7745    0.3208    1.7729 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1415   -0.2281    0.7803 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4129    1.3684    0.4632 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6316   -0.2377   -1.2429 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3830   -1.4814   -0.0029 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2547    0.9105    0.8528 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6384    1.2025    1.2378 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7621    1.2429   -0.6045 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9348   -0.2967    0.3006 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