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
    2.9644   -0.2604    0.7832 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2557    0.5190   -0.2870 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8594    0.4273   -0.2250 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1222   -0.7208   -0.3217 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7501   -1.8066   -0.4823 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3278   -0.6628   -0.2394 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9138    0.5025   -0.0715 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3869    0.5824    0.0146 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4184   -2.2223   -0.3663 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.2352   -1.2841    0.4920 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9398    0.2725    0.9682 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4388   -0.2534    1.7496 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5172    1.5999   -0.2065 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6604    0.1463   -1.2700 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3601    1.4194    0.0076 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7398    1.5396    0.4379 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8032   -0.2510    0.6337 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7931    0.4526   -1.0310 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