Ethyl 3-(4-Bromo-2-chlorophenyl)-3-oxopropionate - CAS 131994-22-4
Catalog: |
BB066311 |
Product Name: |
Ethyl 3-(4-Bromo-2-chlorophenyl)-3-oxopropionate |
CAS: |
131994-22-4 |
Synonyms: |
4- Bromo- 2- chloro- β- oxobenzenepropanoic Acid Ethyl Ester; Ethyl 4-Bromo-2-chloro-β-oxobenzenepropanoate |
IUPAC Name: | ethyl 3-(4-bromo-2-chlorophenyl)-3-oxopropanoate |
Description: | Ethyl 3-(4-Bromo-2-chlorophenyl)-3-oxopropionate can be useful in the preparation of 3- quinolinecarboxamides with potential antiherpetic properties. |
Molecular Weight: | 305.55 |
Molecular Formula: | C11H10BrClO3 |
Canonical SMILES: | CCOC(=O)CC(=O)C1=C(C=C(C=C1)Br)Cl |
InChI: | InChI=1S/C11H10BrClO3/c1-2-16-11(15)6-10(14)8-4-3-7(12)5-9(8)13/h3-5H,2,6H2,1H3 |
InChI Key: | KRHXEXDWAMHYNF-UHFFFAOYSA-N |
References: | Wentland, M. P., et al. J. Med. Chem., 36, 1580 (1993). |
Complexity: | 270 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 303.95018 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 303.95018 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 43.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.3 |
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