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
    3.4163   -0.1042   -0.0187 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0549    0.4723   -0.2877 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0471   -0.4069    0.1416 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3017   -0.0989    0.0018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5377    1.0335   -0.5417 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3534   -0.9900    0.4371 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6143   -0.6802    0.2959 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0858    0.5855   -0.3101 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8611   -2.6441    1.2298 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.5206   -1.1361   -0.3958 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1591    0.5456   -0.5171 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5941   -0.0596    1.0669 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0051    1.4581    0.2394 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8803    0.6813   -1.3581 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3639   -1.3715    0.6332 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6984    1.4776    0.2215 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1746    0.6297   -0.3424 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6866    0.6080   -1.3479 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