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
-2.7718 0.1287 0.4402 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4788 -0.5918 0.2393 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3841 0.3069 0.1984 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9078 -0.1736 0.0182 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0293 -1.4201 -0.1015 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0682 0.7050 -0.0314 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2636 0.1863 -0.2045 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9092 2.6003 0.1479 Br 0 0 0 0 0 0 0 0 0 0 0 0
-2.6028 1.0273 1.0739 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1725 0.4217 -0.5577 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5264 -0.5608 0.8815 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2473 -1.3103 1.0751 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5097 -1.2287 -0.6781 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1635 0.7904 -0.2497 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3518 -0.8813 -0.3054 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