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
    3.0959    0.2969   -0.0787 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0948    0.6369    0.9702 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7627    0.4861    0.5820 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1887   -0.6896    0.1651 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9288   -1.7058    0.1337 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2106   -0.8133   -0.2349 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0455    0.2130   -0.2264 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4523    0.1031   -0.6253 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9028   -2.4944   -0.7968 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.0416    0.8736    0.1440 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3227   -0.8056    0.0067 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6881    0.5489   -1.0702 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3603    0.0886    1.8947 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2351    1.7254    1.2262 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6202    1.1704    0.1019 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8983   -0.8867   -0.4033 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0269    0.8997   -0.0830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5621    0.3529   -1.7061 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