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
-2.2487 0.5008 -0.4951 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6373 -0.8468 -0.2917 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3558 -0.7979 0.3160 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7125 -0.1362 -0.2517 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5029 0.4390 -1.3603 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0344 -0.0762 0.3586 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0448 0.5501 -0.1792 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2761 -0.9637 2.0249 Br 0 0 0 0 0 0 0 0 0 0 0 0
-1.9868 1.2347 0.2958 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0744 0.9353 -1.4954 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3679 0.3668 -0.4140 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3102 -1.5271 0.2471 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4998 -1.2981 -1.3176 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9138 1.0513 -1.1173 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9963 0.5681 0.3037 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