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
-2.7498 -0.3713 0.1655 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5563 0.3376 -0.3973 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3557 -0.2567 0.0961 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8788 0.2385 -0.2930 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8827 1.2146 -1.0841 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1323 -0.3330 0.1824 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2973 0.1555 -0.2020 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1623 -1.8147 1.3836 Br 0 0 0 0 0 0 0 0 0 0 0 0
-2.9559 -1.2676 -0.4478 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6227 0.3110 0.1426 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5022 -0.6765 1.2013 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5469 0.3033 -1.5078 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5875 1.3905 -0.0391 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2354 -0.2374 0.1256 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2883 1.0062 -0.8916 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