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
-2.0971 -0.6043 0.0810 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0999 -1.1662 -0.9097 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1830 -0.6770 -0.5816 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4005 0.6874 -0.5862 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5237 1.4784 -0.8764 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7032 1.2144 -0.2544 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6783 0.3917 0.0511 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9901 3.0894 -0.2641 Br 0 0 0 0 0 0 0 0 0 0 0 0
-2.6581 0.2407 -0.3699 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8135 -1.4001 0.3262 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5649 -0.2563 0.9793 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3273 -0.8470 -1.9408 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0574 -2.2731 -0.7945 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5435 -0.6818 0.0647 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6432 0.8037 0.2958 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