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
-2.6876 0.6534 -0.0185 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5779 -0.3410 0.0472 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3072 0.2794 0.0430 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8811 -0.4009 0.0960 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8271 -1.6616 0.1520 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1590 0.2993 0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2995 -0.3579 0.1393 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1715 2.2014 0.0023 Br 0 0 0 0 0 0 0 0 0 0 0 0
-2.7222 1.1966 -0.9888 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6474 0.0928 0.0952 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6044 1.3505 0.8364 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6598 -1.1311 -0.7257 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6597 -0.8703 1.0264 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2745 -1.4326 0.1875 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2534 0.1220 0.1354 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