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
   -3.5380    0.3911   -0.3538 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3651   -0.4472    0.0823 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1770    0.2349   -0.1860 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0296   -0.3736    0.1447 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083   -1.5299    0.6792 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3137    0.2633   -0.0988 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4221   -0.3566    0.2333 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7519    0.2600    0.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3238    1.9852   -0.8965 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -3.8215    0.0549   -1.3819 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2728    1.4639   -0.4147 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4170    0.1991    0.2888 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4368   -0.6235    1.1925 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4304   -1.4459   -0.3819 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4069   -1.3326    0.6851 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4822   -0.1295    0.7378 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0556    0.0264   -1.0346 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6812    1.3601    0.0988 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