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
-2.2941 -0.3070 0.0609 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5421 0.9146 -0.3805 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2362 0.9888 0.1342 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7403 0.0350 -0.1002 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4104 -0.9331 -0.8127 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0776 0.0991 0.4196 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9431 -0.8350 0.1574 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5830 1.5664 1.5014 Br 0 0 0 0 0 0 0 0 0 0 0 0
-3.3874 -0.0864 -0.1204 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2092 -0.4614 1.1494 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0726 -1.2051 -0.5400 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5091 0.9632 -1.4847 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1038 1.8011 -0.0217 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6377 -1.6759 -0.4683 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9624 -0.8642 0.5057 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