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
-2.7156 -0.4178 0.4432 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5288 0.2741 -0.2285 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3593 -0.2651 0.3492 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8510 0.2180 -0.1099 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8200 1.0938 -1.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1326 -0.2449 0.3932 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2359 0.2612 -0.0920 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1897 -1.5844 1.7547 Br 0 0 0 0 0 0 0 0 0 0 0 0
-3.6457 -0.2998 -0.1365 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7898 0.0380 1.4709 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4939 -1.5179 0.5112 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6036 1.3538 0.0720 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5621 0.1528 -1.3324 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1960 -0.0813 0.2806 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2737 1.0194 -0.8608 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