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
   -3.0004   -0.6505    0.3787 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2996    0.6945    0.5277 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8976    0.5537    0.4971 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2026    0.0191   -0.5844 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8957   -0.3456   -1.5654 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2581   -0.1143   -0.5856 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0201    0.2451    0.3976 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4817    0.0808    0.3255 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0723   -0.8641   -2.1355 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.9087   -1.0711   -0.6243 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0638   -0.5097    0.6164 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5323   -1.2973    1.1739 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5597    1.0547    1.5459 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6878    1.4221   -0.2043 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5854    0.6719    1.2860 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9015   -0.3708    1.2705 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9229    1.0835    0.1399 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8062   -0.6021   -0.4845 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