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
   -2.6186   -0.3854   -0.4305 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1890    0.1728    0.8875 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0313    0.9418    0.8467 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1710    0.3583    0.3996 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0890   -0.8496    0.0648 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4027    1.1249    0.3410 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5132    0.5795   -0.0738 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5618   -0.8385   -0.5001 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4425    2.9532    0.8671 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -3.6838   -0.7387   -0.2990 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6576    0.4217   -1.2032 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0572   -1.2730   -0.7589 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1383   -0.6657    1.6136 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0194    0.8291    1.2542 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4402    1.1335   -0.1246 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9035   -1.0645   -1.3637 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5852   -1.1463   -0.8094 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2860   -1.5530    0.3022 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