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
-2.2300 0.4165 -0.2066 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3832 -0.6999 -0.7676 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0964 -0.7378 -0.2167 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7359 0.3586 -0.3594 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2763 1.3466 -0.9900 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0950 0.3902 0.1906 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5895 -0.6270 0.8487 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1453 1.9322 -0.0600 Br 0 0 0 0 0 0 0 0 0 0 0 0
-3.3013 0.1271 -0.3969 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0588 1.3315 -0.8048 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0594 0.5734 0.8825 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8880 -1.6570 -0.4465 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3884 -0.5956 -1.8692 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9947 -1.5318 1.0046 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5687 -0.6270 1.2551 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