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
   -3.5657    0.3395   -0.5607 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4037   -0.1676    0.2366 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1716    0.1532   -0.4262 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0355   -0.2159    0.1251 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0117   -0.8357    1.2159 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3194    0.0705   -0.4815 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4350   -0.3047    0.0880 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7546   -0.0208   -0.5170 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4285    1.0176   -2.1541 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -3.7876    1.4224   -0.3553 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4100    0.2574   -1.6574 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4998   -0.2116   -0.3278 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4840   -1.2426    0.4300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4105    0.3677    1.2106 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4255   -0.8469    1.0413 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7107    0.7956   -1.2671 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4059    0.3575    0.3246 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2061   -0.9357   -0.9574 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