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
    3.0528   -0.0873    0.6448 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4420    0.0480   -0.7232 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1341    0.5301   -0.7126 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1231   -0.1400   -0.0592 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4150   -1.2040    0.5303 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2726    0.3111   -0.0087 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1925   -0.3766    0.6341 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5852    0.1166    0.6578 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7828    1.9236   -0.8861 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.6078   -0.8660    1.2657 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0795    0.9130    1.1414 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1245   -0.3979    0.4781 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4605   -0.9381   -1.2304 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1039    0.7158   -1.3154 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8903   -1.3022    1.1355 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6888    1.0866    1.2045 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2568   -0.6685    1.0952 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8743    0.3358   -0.4010 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