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
-2.2121 0.0350 -0.5053 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5615 -0.9565 0.4240 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3725 -0.4382 1.0150 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6819 -0.0489 0.2240 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5278 -0.1796 -1.0379 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9242 0.4864 0.7240 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8923 0.8395 -0.0826 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1561 0.6815 2.5919 Br 0 0 0 0 0 0 0 0 0 0 0 0
-3.2731 -0.2901 -0.6499 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1546 1.0701 -0.1180 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7537 -0.0039 -1.5160 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2271 -1.8167 -0.2268 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2524 -1.3600 1.1807 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7865 0.7377 -1.1748 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8381 1.2437 0.2353 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