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
-2.2887 0.1547 0.3421 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5617 0.2206 -0.9805 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2136 0.5378 -0.8032 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6643 -0.2226 -0.0719 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2676 -1.2670 0.4815 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0403 0.1856 0.0553 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9442 -0.4956 0.7435 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6607 1.7970 -0.7962 Br 0 0 0 0 0 0 0 0 0 0 0 0
-1.9489 -0.6998 0.9597 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3760 0.0302 0.1745 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0528 1.0754 0.9222 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0370 1.0244 -1.5763 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6908 -0.7414 -1.5231 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6289 -1.4051 1.2339 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9636 -0.1942 0.8384 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