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
2.2931 0.1419 0.0313 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2461 0.7333 0.9375 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0549 0.6229 0.4506 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6473 -0.6069 0.1816 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0642 -1.6039 0.4056 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0030 -0.7392 -0.3265 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7764 0.2933 -0.5720 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6715 -2.4931 -0.6445 Br 0 0 0 0 0 0 0 0 0 0 0 0
3.2841 0.5329 0.4068 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3692 -0.9593 0.1183 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1967 0.4896 -1.0211 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3950 0.2900 1.9411 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4796 1.8343 1.0078 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4087 1.2918 -0.3957 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7663 0.1723 -0.9440 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