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
-2.1274 -0.6122 0.3266 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5214 0.7647 0.3329 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1007 0.6428 0.4759 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6309 -0.0503 -0.4672 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0057 -0.5477 -1.4216 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0585 -0.2157 -0.3928 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7015 0.3090 0.6072 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9970 -1.1791 -1.7226 Br 0 0 0 0 0 0 0 0 0 0 0 0
-3.1749 -0.5480 0.7365 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2403 -0.9625 -0.7346 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5268 -1.3601 0.8787 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9453 1.4072 1.1184 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7265 1.2968 -0.6393 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2163 0.8657 1.3893 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7648 0.1894 0.6684 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