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
   -2.6286    0.4808   -0.0308 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3583    1.2843   -0.0115 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1997    0.4920    0.0313 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1184   -0.3979    1.0145 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6728   -0.5446    1.9786 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3601   -1.1565    0.9295 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2345   -1.0573   -0.0451 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9926   -0.1226   -1.1654 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7775   -2.4103    2.3439 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -3.4604    0.9668    0.5208 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0032    0.2975   -1.0657 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4578   -0.5289    0.4249 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3149    1.8866   -0.9418 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3683    2.0333    0.8275 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1309   -1.6615   -0.0248 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0637   -0.3078   -1.7237 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8464   -0.1513   -1.9005 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9400    0.8973   -0.7332 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