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
-2.2222 0.6172 -0.0169 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6454 -0.7473 -0.1627 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3431 -0.7781 -0.6820 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6977 -0.1466 -0.0365 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4077 0.4454 1.0248 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0277 -0.2076 -0.6146 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0395 0.3777 -0.0333 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3491 -1.1392 -2.2361 Br 0 0 0 0 0 0 0 0 0 0 0 0
-1.4676 1.4058 0.0124 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9013 0.8653 -0.8836 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9022 0.6473 0.8838 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6697 -1.3047 0.8004 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2878 -1.3047 -0.9048 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0327 0.3537 -0.4301 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8851 0.9156 0.8917 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