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
-2.1587 0.7626 -0.0876 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5617 -0.2381 0.8723 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1537 -0.1881 0.8880 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6364 -0.4199 -0.2251 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0497 -0.6891 -1.3038 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0929 -0.3627 -0.1858 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7634 -0.0850 0.9177 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1015 -0.6961 -1.7685 Br 0 0 0 0 0 0 0 0 0 0 0 0
-1.3643 1.2236 -0.7240 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9037 0.2123 -0.6990 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7477 1.5581 0.4407 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8861 0.0841 1.9055 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9670 -1.2409 0.7355 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2576 0.1187 1.8693 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8415 -0.0395 0.9608 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