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
-2.2995 0.4753 -0.2874 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5872 -0.7881 0.0906 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2366 -0.6295 0.3761 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7193 -0.1447 -0.4972 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2959 0.1689 -1.6351 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1287 -0.0043 -0.1270 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0261 0.4605 -0.9747 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7088 -0.4967 1.6137 Br 0 0 0 0 0 0 0 0 0 0 0 0
-3.1556 0.2269 -0.9748 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6897 1.2210 -0.7858 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7926 0.9670 0.5935 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0815 -1.1668 1.0264 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7863 -1.5783 -0.6803 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6961 0.7428 -1.9709 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0540 0.5460 -0.6559 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