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
2.7260 -0.5299 -0.0753 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5036 0.3188 -0.0054 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3050 -0.4277 -0.0351 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8900 0.3129 0.0278 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8499 1.5662 0.1053 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1677 -0.3515 0.0043 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2687 0.3463 0.0632 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2458 -2.2428 -0.1124 Br 0 0 0 0 0 0 0 0 0 0 0 0
3.5369 0.0785 -0.5379 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1254 -0.8034 0.9430 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6024 -1.4513 -0.6936 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5239 0.8612 0.9704 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5183 1.0394 -0.8296 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2298 -0.1485 0.0458 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1896 1.4317 0.1297 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