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
   -3.0854    0.3220    0.0810 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1735   -0.8970   -0.1134 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8605   -0.4387   -0.0049 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2694   -1.2127   -0.1166 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1418   -2.4347   -0.3336 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5720   -0.5757    0.0230 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7152    0.7160    0.2526 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0364    1.3477    0.3916 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1486   -1.6326   -0.1288 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -3.2314    0.5303    1.1585 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0715    0.1192   -0.3628 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5668    1.1542   -0.4477 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3744   -1.2567   -1.1557 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4657   -1.6515    0.6245 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8055    1.2955    0.3348 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0925    2.1974   -0.3449 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2194    1.7795    1.3970 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8283    0.6379    0.0746 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