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
    2.4303    0.8051    0.5328 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0834    1.4581    0.4800 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0897    0.5293    0.1514 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0885   -0.1880   -1.0281 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0202   -0.0182   -1.8745 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9846   -1.1305   -1.2832 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9371   -1.3001   -0.4111 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0610   -0.6070    0.8801 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9452   -2.1101   -2.9442 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.7983    0.4298   -0.4261 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3240   -0.0914    1.2099 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1558    1.4902    1.0303 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8584    1.8174    1.5184 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0563    2.3502   -0.1660 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7134   -2.0298   -0.6751 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1561   -0.8822    1.4957 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1272    0.4965    0.8074 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9803   -1.0195    1.3924 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