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
    3.5748   -0.5829    0.2075 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3918    0.3385   -0.0707 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1676   -0.3592    0.0895 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0518    0.2672   -0.1094 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0422    1.4763   -0.4372 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3355   -0.4017    0.0416 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4381    0.2679   -0.1662 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7571   -0.4002   -0.0162 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4519   -2.2408    0.5380 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.5106   -0.0156    0.0631 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5560   -0.9624    1.2419 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5957   -1.4342   -0.4822 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4732    0.6835   -1.1197 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4084    1.2070    0.6061 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3607    1.3209   -0.4500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4874    0.4283    0.2192 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7551   -1.1249    0.8265 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9983   -0.8926   -0.9817 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