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
-2.0687 0.9015 -1.9183 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9946 -0.1171 -1.5977 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3018 0.3026 -0.4561 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7322 -0.4746 0.0291 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0126 -1.5332 -0.5755 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4380 -0.0133 1.2214 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4277 -0.7102 1.7267 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9550 1.6156 2.0941 Br 0 0 0 0 0 0 0 0 0 0 0 0
-2.0582 1.7305 -1.1748 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0799 0.4114 -1.8879 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9377 1.2472 -2.9551 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3291 -0.2535 -2.4621 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4310 -1.1126 -1.3728 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9363 -0.3578 2.6032 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6992 -1.6365 1.2269 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