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
-2.3328 0.5847 0.8424 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5505 -0.0522 -0.2802 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1689 0.0291 0.0439 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7832 -0.4936 -0.8397 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3475 -1.0156 -1.8913 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2000 -0.4164 -0.5192 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6432 0.1367 0.5928 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4729 -1.1333 -1.7351 Br 0 0 0 0 0 0 0 0 0 0 0 0
-1.9303 0.2089 1.7866 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1245 1.6777 0.7921 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4103 0.3583 0.7600 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6681 0.4875 -1.2464 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8767 -1.1063 -0.4138 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9212 0.5446 1.2849 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6942 0.1899 0.8228 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