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
-2.3273 0.2603 0.0368 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5017 -0.9469 0.3282 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2288 -0.9399 -0.2418 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7454 0.0137 0.0112 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4236 0.9230 0.8175 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0686 -0.0311 -0.6191 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9664 0.8954 -0.3513 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5403 -1.4161 -1.8388 Br 0 0 0 0 0 0 0 0 0 0 0 0
-1.7506 1.1780 -0.0016 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1303 0.3573 0.8168 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8935 0.1181 -0.9266 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5006 -1.1270 1.4221 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0463 -1.8307 -0.1121 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9363 0.8580 -0.8166 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6984 1.6879 0.3458 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