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
    3.5087    0.7278    0.3425 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4149   -0.2703    0.0373 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1452    0.3580    0.0631 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0189   -0.4055   -0.1951 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1144   -1.6503   -0.4518 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3266    0.1477   -0.1918 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3897   -0.5917   -0.4394 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7776   -0.0758   -0.4476 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4983    2.0170    0.1913 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.0294    0.4742    1.2988 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2456    0.7420   -0.4875 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0389    1.7208    0.5036 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5974   -0.7225   -0.9589 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3874   -1.0490    0.8390 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2499   -1.6394   -0.6504 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2420   -0.3334    0.5131 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2809   -0.4785   -1.3255 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7359    1.0290   -0.5211 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