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
2.1538 0.7172 -0.1435 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7219 -0.4678 0.6958 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3464 -0.3404 1.0621 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6538 -0.2665 0.1028 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2598 -0.3199 -1.1038 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0583 -0.1371 0.4261 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9575 -0.0721 -0.5246 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6137 -0.0600 2.2388 Br 0 0 0 0 0 0 0 0 0 0 0 0
2.7794 0.4001 -1.0135 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7847 1.3543 0.5429 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2759 1.3177 -0.4404 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3590 -0.6629 1.5542 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7646 -1.3704 0.0315 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0166 0.0250 -0.3098 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6262 -0.1173 -1.5590 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