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
2.2755 0.3865 -0.4220 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5871 0.1668 0.8939 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2190 0.4200 0.8767 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7071 -0.2297 0.0748 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2625 -1.1181 -0.6955 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1311 0.0793 0.1006 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9405 -0.5836 -0.6917 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8400 1.4171 1.2529 Br 0 0 0 0 0 0 0 0 0 0 0 0
1.8417 -0.2460 -1.2198 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3375 1.4585 -0.7034 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3291 0.0003 -0.2938 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8351 -0.8865 1.2081 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0474 0.8362 1.6514 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6033 -1.3559 -1.3707 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9880 -0.3449 -0.6617 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