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
-2.7016 0.1887 0.4681 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5127 -0.0830 -0.4397 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3364 0.0937 0.3021 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8940 -0.0986 -0.3102 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8848 -0.4301 -1.5309 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1348 0.0743 0.4224 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2797 -0.1139 -0.1813 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0902 0.5734 2.2559 Br 0 0 0 0 0 0 0 0 0 0 0 0
-2.9448 -0.6819 1.1004 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5545 0.4304 -0.2206 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5330 1.0446 1.1432 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5508 0.5313 -1.3570 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6345 -1.1465 -0.7933 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2811 -0.3966 -1.2217 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2037 0.0144 0.3626 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