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
   -3.0606   -1.9274   -0.2771 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3440   -0.6404   -0.5562 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9880   -0.6860   -0.1386 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1082    0.3532   -0.2751 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5417    1.4082   -0.8052 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2829    0.3131    0.1507 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0662    1.3593   -0.0170 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4759    1.3986    0.3841 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0510   -1.2331    0.9670 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.8822   -2.2199    0.7640 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1488   -1.7444   -0.4169 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7360   -2.6989   -1.0076 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8771    0.1925   -0.0497 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4409   -0.4362   -1.6478 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6446    2.2383   -0.4765 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6880    0.7567    1.2782 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7414    2.4362    0.6731 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1774    1.1303   -0.4482 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