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
-2.1384 -0.3795 -0.0875 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4006 0.9298 -0.2175 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1006 0.7356 0.3084 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6923 -0.2172 -0.2800 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2506 -0.8718 -1.2439 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0312 -0.4687 0.2056 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4772 0.2355 1.2262 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1709 -1.7847 -0.5821 Br 0 0 0 0 0 0 0 0 0 0 0 0
-3.1639 -0.1751 0.2679 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2614 -0.8563 -1.0990 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6066 -1.0811 0.5900 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9547 1.7275 0.3133 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3055 1.1760 -1.3004 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8280 0.9736 1.6622 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4818 0.0562 1.6008 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