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
-2.1882 0.4098 0.2508 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5789 -0.9602 0.3776 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3263 -0.9507 -0.2863 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6562 -0.0970 0.1164 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4328 0.6664 1.0698 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9350 -0.0691 -0.5415 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9182 0.7472 -0.1800 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1773 -1.2936 -2.0082 Br 0 0 0 0 0 0 0 0 0 0 0 0
-1.8083 0.8610 -0.6844 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8832 1.0876 1.0722 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2994 0.3832 0.2716 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4656 -1.2552 1.4486 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2628 -1.6668 -0.1439 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8371 0.6890 -0.7382 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8560 1.4483 0.6185 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