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
-2.4431 -1.1412 -0.1837 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6342 0.0953 0.1345 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2694 -0.2630 0.0503 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7676 0.6051 0.2759 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5248 1.7916 0.5760 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1158 0.1400 0.1645 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1108 0.9532 0.3759 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4335 -1.6759 -0.2952 Br 0 0 0 0 0 0 0 0 0 0 0 0
-3.0633 -1.0009 -1.0763 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0986 -1.4078 0.6911 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7936 -2.0453 -0.3240 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8160 0.4191 1.1782 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8892 0.9500 -0.5346 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9377 1.9740 0.6344 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1172 0.6059 0.2927 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