Methyl 4-(3-Bromophenyl)-2,4-dioxobutanoate - CAS 93618-22-5
Catalog: |
BB040990 |
Product Name: |
Methyl 4-(3-Bromophenyl)-2,4-dioxobutanoate |
CAS: |
93618-22-5 |
Synonyms: |
4-(3-bromophenyl)-2,4-dioxobutanoic acid methyl ester; methyl 4-(3-bromophenyl)-2,4-dioxobutanoate |
IUPAC Name: | methyl 4-(3-bromophenyl)-2,4-dioxobutanoate |
Description: | Methyl 4-(3-Bromophenyl)-2,4-dioxobutanoate (CAS# 93618-22-5 ) is a useful research chemical. |
Molecular Weight: | 285.09 |
Molecular Formula: | C11H9BrO4 |
Canonical SMILES: | COC(=O)C(=O)CC(=O)C1=CC(=CC=C1)Br |
InChI: | InChI=1S/C11H9BrO4/c1-16-11(15)10(14)6-9(13)7-3-2-4-8(12)5-7/h2-5H,6H2,1H3 |
InChI Key: | JEJFZQTXCRUDGB-UHFFFAOYSA-N |
LogP: | 1.76400 |
Publication Number | Title | Priority Date |
EP-3730491-A1 | Isoxazole derivative, preparation method therefor, and use thereof | 20171222 |
EP-2217588-A1 | Inhibitors of histone deacetylase | 20071102 |
US-2011021771-A1 | Inhibitors of histone deacetylase | 20071102 |
US-2014045850-A1 | Inhibitors of histone deacetylase | 20071102 |
US-8673911-B2 | Inhibitors of histone deacetylase | 20071102 |
Complexity: | 300 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 283.96842 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 283.96842 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 60.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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