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
2.2325 -0.0836 -0.4308 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5560 -0.7648 0.7255 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3093 -0.1442 0.9370 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7023 -0.0812 0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4539 -0.6316 -1.1148 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9650 0.5735 0.2809 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9317 0.6307 -0.6214 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2040 1.3679 2.0200 Br 0 0 0 0 0 0 0 0 0 0 0 0
1.8726 -0.5542 -1.3556 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9413 1.0050 -0.3710 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3347 -0.1222 -0.3370 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4828 -1.8586 0.5749 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1411 -0.6246 1.6790 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7334 0.1652 -1.5774 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8800 1.1227 -0.4100 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