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
2.7386 0.2466 -0.1501 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4947 -0.5895 -0.1577 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3516 0.2645 -0.0766 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9156 -0.2842 -0.0678 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0377 -1.5313 -0.1318 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0762 0.6054 0.0157 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2670 0.0604 0.0224 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8243 2.5026 0.1110 Br 0 0 0 0 0 0 0 0 0 0 0 0
3.5493 -0.2257 -0.7344 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5564 1.2742 -0.5416 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0533 0.3921 0.9249 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4529 -1.1735 -1.0882 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4349 -1.2343 0.7600 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3811 -0.9943 -0.0313 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1297 0.6871 0.0827 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