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
    2.9979   -0.3977   -0.2285 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4484    0.9702    0.0401 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0993    1.0570   -0.3313 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1398    0.2211    0.2625 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5223   -0.6170    1.1455 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2515    0.2625   -0.0748 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1077   -0.5240    0.4939 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5707   -0.5001    0.1580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8557    1.4904   -1.3780 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.6048   -0.3819   -1.1482 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2337   -1.1807   -0.3430 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6379   -0.7164    0.6357 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0073    1.7112   -0.5646 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5908    1.2678    1.1079 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7583   -1.2235    1.2374 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8519    0.5139   -0.2139 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1365   -0.6605    1.0931 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7498   -1.2924   -0.5987 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