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
   -3.0915    0.4243    0.3922 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4917   -0.6705   -0.4457 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1453   -0.9069   -0.1265 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1345    0.0048   -0.2148 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4015    1.1670   -0.6139 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2558   -0.3282    0.1416 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2274    0.5328    0.0613 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6002    0.1162    0.4396 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6228   -2.0965    0.7417 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.6153    1.3837    0.1045 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8710    0.2332    1.4716 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1894    0.4294    0.1889 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6403   -0.3900   -1.5091 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0334   -1.6346   -0.2965 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0971    1.5650   -0.2736 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9907    0.9333    1.1134 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2216    0.0772   -0.4545 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5983   -0.8403    1.0036 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