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
-2.7348 0.1938 -0.6974 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5472 -0.1757 0.1551 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3177 0.1661 -0.4727 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8341 -0.1396 0.2443 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7676 -0.6861 1.3794 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1635 0.1541 -0.2763 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2481 -0.1397 0.4111 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2893 0.9775 -1.9846 Br 0 0 0 0 0 0 0 0 0 0 0 0
-2.5960 -0.1043 -1.7520 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6298 -0.2438 -0.2222 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8337 1.3000 -0.6458 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5332 -1.2513 0.3671 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5668 0.4526 1.0919 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2560 -0.6058 1.3838 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2007 0.1021 -0.0273 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