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
   -2.9717    0.4850    0.0083 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4453   -0.9207    0.2191 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1126   -1.0001   -0.2279 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1535   -0.1778    0.3620 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4312    0.6292    1.2746 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2045   -0.2705   -0.1056 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1252    0.5094    0.4508 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5189    0.3935   -0.0506 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6708   -1.4900   -1.4974 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -3.8884    0.4566   -0.6357 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1933    1.1058   -0.4782 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2290    0.9358    0.9999 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0449   -1.6642   -0.3495 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4474   -1.2203    1.2875 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8516    1.2006    1.2422 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1829    0.7322    0.7762 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6789    0.9715   -0.9856 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6846   -0.6759   -0.2900 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