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
   -2.4659    0.1538    0.7400 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7201   -0.8089   -0.1607 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3570   -0.4842   -0.2879 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0311    0.7295   -0.8012 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9404    1.5066   -1.1396 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4032    1.1701   -0.9776 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3923    0.4087   -0.6457 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1739   -0.9318   -0.0772 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7693    2.8907   -1.7067 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.7658    0.7362    1.3631 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0506    0.8978    0.1344 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1973   -0.3597    1.3945 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2409   -0.8596   -1.1466 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7804   -1.8538    0.2476 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4081    0.7401   -0.7785 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5823   -0.9208    0.8788 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6152   -1.5659   -0.7940 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1430   -1.4488    0.1502 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