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
-2.2333 0.4674 -0.0714 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4611 -0.8070 -0.1004 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1197 -0.6676 0.3344 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7662 0.1948 -0.3333 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2848 0.8109 -1.3149 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1505 0.3510 0.1000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6313 -0.3136 1.1414 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2527 1.5525 -0.8900 Br 0 0 0 0 0 0 0 0 0 0 0 0
-1.5931 1.3540 0.1296 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7562 0.6927 -1.0362 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0535 0.4197 0.7023 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9347 -1.5373 0.6165 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5232 -1.3099 -1.0954 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6411 -0.2222 1.4855 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9482 -0.9855 1.6648 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