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
-2.2793 0.3457 -0.1417 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5329 -0.9351 -0.2965 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1617 -0.7677 -0.5809 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7003 -0.1000 0.2717 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2226 0.3650 1.3307 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0981 0.0832 0.0049 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8671 0.7231 0.8467 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8264 -0.6197 -1.5982 Br 0 0 0 0 0 0 0 0 0 0 0 0
-1.7897 1.2206 -0.6098 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5423 0.5255 0.9213 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2610 0.2265 -0.6726 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9702 -1.5694 -1.1115 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6107 -1.5097 0.6455 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9215 0.8624 0.6474 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5117 1.1495 1.7820 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