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
    2.6290    0.4513    0.3334 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5361    0.4688   -0.6974 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2673    0.1980   -0.1894 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0503   -1.0039    0.4566 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9120   -1.8128    0.5355 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3749   -1.2986    0.9924 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3799   -0.4694    0.9171 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2122    0.8403    0.2671 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5663   -3.0234    1.8395 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3509    1.1142    1.1797 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5492    0.8502   -0.1715 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8581   -0.5335    0.7362 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5070    1.5114   -1.1123 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8171   -0.1766   -1.5601 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3362   -0.7323    1.3268 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9100    0.7049   -0.8096 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4334    1.4673    0.7462 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1635    1.4441    0.3142 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