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
-2.7375 0.5379 0.1046 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5348 -0.3354 0.2393 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3198 0.3829 0.1668 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8633 -0.3278 0.2800 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8526 -1.5724 0.4420 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1730 0.3554 0.2138 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2948 -0.3336 0.3231 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2525 2.2422 -0.0307 Br 0 0 0 0 0 0 0 0 0 0 0 0
-3.3785 0.5511 1.0313 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4996 1.5856 -0.1690 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3853 0.1312 -0.6953 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5699 -0.8362 1.2300 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5284 -1.1442 -0.5439 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2863 -1.4265 0.4654 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2314 0.1898 0.2712 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