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
-1.5531 -0.0783 1.6918 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6296 0.2567 0.2113 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4462 -0.0589 -0.4646 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7971 0.4657 -0.1883 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8631 1.2987 0.7540 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9683 0.0780 -0.9441 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8352 -0.7976 -1.9177 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6762 0.8407 -0.5161 Br 0 0 0 0 0 0 0 0 0 0 0 0
-1.2841 -1.1455 1.8219 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7920 0.5159 2.2069 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5634 0.0398 2.1330 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9486 1.3130 0.0907 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4371 -0.3897 -0.2282 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6541 -1.1373 -2.5253 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8599 -1.2012 -2.1253 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