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
-2.1153 0.9068 -0.1959 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7352 -0.5202 0.0459 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4755 -0.8753 -0.4291 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6757 -0.2324 0.0382 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4904 0.6675 0.8980 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0008 -0.5858 -0.4426 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0607 0.0417 0.0208 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2832 -1.9461 -1.7426 Br 0 0 0 0 0 0 0 0 0 0 0 0
-2.0254 1.1777 -1.2801 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2230 0.9831 0.0112 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5858 1.6352 0.4332 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4872 -1.1546 -0.4959 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8825 -0.7356 1.1236 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0706 -0.1749 -0.2966 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9486 0.8127 0.7521 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