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
2.1786 0.4921 -0.0663 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6577 -0.9028 -0.3142 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3438 -0.9801 0.2386 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6314 -0.1294 -0.2394 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3712 0.7004 -1.1458 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9821 -0.1794 0.3004 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9305 0.6273 -0.1444 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4479 -1.4121 1.6758 Br 0 0 0 0 0 0 0 0 0 0 0 0
2.6151 0.8907 -1.0224 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3862 1.1836 0.3145 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9334 0.4348 0.7326 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3213 -1.6388 0.1355 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5362 -1.0496 -1.4213 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6823 1.3428 -0.9346 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9269 0.6205 0.2244 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