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
    3.0326   -0.3187    0.5050 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2882    0.3453   -0.6053 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8949    0.4053   -0.3911 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0815   -0.6802   -0.2233 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6412   -1.8267   -0.2664 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3541   -0.5971   -0.0034 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9631    0.5719    0.0465 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4144    0.7202    0.2663 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4141   -2.1598    0.2211 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.0206    0.1774    0.6072 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5355   -0.2201    1.5014 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2438   -1.3948    0.2664 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5194   -0.1835   -1.5509 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6633    1.3822   -0.7300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3795    1.4753   -0.0787 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6447    0.9065    1.3282 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7614    1.5736   -0.3554 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9898   -0.1769   -0.0535 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