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
2.2550 -0.1833 0.6930 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6385 -0.1907 -0.6647 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3599 0.3987 -0.7160 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7332 -0.0426 0.0064 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5604 -1.0370 0.7549 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0342 0.5721 -0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0311 0.1088 0.6502 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3060 2.0715 -1.1829 Br 0 0 0 0 0 0 0 0 0 0 0 0
1.5800 -0.4798 1.5097 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7075 0.8120 0.9633 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1329 -0.8831 0.6608 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6100 -1.2607 -1.0094 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2900 0.3654 -1.3603 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8821 -0.7629 1.3072 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0269 0.5115 0.6560 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