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
   -3.1337    0.4079   -0.3749 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1951   -0.7620   -0.1112 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8904   -0.2441   -0.0867 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1831   -1.1261    0.1421 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0641   -2.3332    0.3145 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5374   -0.5997    0.1693 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7612    0.6910   -0.0184 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1512    1.1855    0.0168 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9738   -1.8094    0.4802 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -4.1638    0.0601   -0.1379 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8498    1.1920    0.3666 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0259    0.7631   -1.4178 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4195   -1.1408    0.9142 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3069   -1.5374   -0.8911 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9304    1.3708   -0.1951 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2395    2.0482   -0.6819 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8063    0.3685   -0.3479 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4660    1.4657    1.0560 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