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
   -2.9451    1.0005   -0.5421 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3381   -0.2666    0.0695 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9373   -0.0634    0.0693 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1058   -1.0396    0.5642 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5926   -2.0896    1.0064 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3217   -0.8287    0.5624 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8542    0.2931    0.0908 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3278    0.4340    0.1236 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4406   -2.2122    1.2600 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.6565    1.8328    0.1458 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3866    1.1379   -1.5114 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0269    0.9041   -0.6845 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6382   -1.1690   -0.4824 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6467   -0.3395    1.1431 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2668    1.0862   -0.3055 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6062    0.7239    1.1556 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6925    1.1687   -0.6329 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7639   -0.5726   -0.0896 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