Monomers

Ethyl 2-bromoacrylate

Identifiers

IUPAC name
ethyl 2-bromoprop-2-enoate
InchI
InChI=1S/C5H7BrO2/c1-3-8-5(7)4(2)6/h2-3H2,1H3
InchI Key
UCDOJQCUOURTPS-UHFFFAOYSA-N
SMILES
CCOC(=O)C(=C)Br
Canonical SMILES
CCOC(=O)C(=C)Br
Isomeric SMILES
CCOC(=O)C(=C)Br
Resources

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C5H7BrO2
Heavy Atom Count
8
Molecular Weight
179.013
Exact Molecular Weight
177.9629
Valence Electrons
46
Radical Electrons
0
tPSA
26.3
MolLogP
1.4581
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

 15 14  0  0  0  0  0  0  0  0999 V2000
   -2.7606   -0.2886    0.4336 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5400    0.1495   -0.3068 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3502   -0.1947    0.4106 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8789    0.1393   -0.1349 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8854    0.7375   -1.2509 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1495   -0.1452    0.4763 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2875    0.1836   -0.0653 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1457   -1.0392    2.1446 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.5595   -0.1987    1.5301 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1128   -1.2933    0.1638 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5996    0.4106    0.1450 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4968    1.2455   -0.4683 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5397   -0.3869   -1.2926 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2523   -0.0250    0.3849 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3600    0.7056   -1.0349 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
  6  8  1  0
  1  9  1  0
  1 10  1  0
  1 11  1  0
  2 12  1  0
  2 13  1  0
  7 14  1  0
  7 15  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers