1-(2-Chlorophenyl)-1,3-butanedione - CAS 56464-74-5
Catalog: |
BB029372 |
Product Name: |
1-(2-Chlorophenyl)-1,3-butanedione |
CAS: |
56464-74-5 |
Synonyms: |
1-(2-chlorophenyl)butane-1,3-dione; 1-(2-chlorophenyl)butane-1,3-dione |
IUPAC Name: | 1-(2-chlorophenyl)butane-1,3-dione |
Description: | 1-(2-Chlorophenyl)-1,3-butanedione (CAS# 56464-74-5) is a useful research chemical. |
Molecular Weight: | 196.63 |
Molecular Formula: | C10H9ClO2 |
Canonical SMILES: | CC(=O)CC(=O)C1=CC=CC=C1Cl |
InChI: | InChI=1S/C10H9ClO2/c1-7(12)6-10(13)8-4-2-3-5-9(8)11/h2-5H,6H2,1H3 |
InChI Key: | CYPYOGOPKDBEFY-UHFFFAOYSA-N |
Boiling Point: | 273.026 ℃ at 760 mmHg |
Density: | 1.206 g/cm3 |
MDL: | MFCD07772928 |
LogP: | 2.50180 |
Publication Number | Title | Priority Date |
CN-108203408-B | Pyrazole compound containing N-aryl sulfonate as well as synthesis and application thereof | 20180312 |
JP-2014201553-A | Method for producing 2-fluoro-1,3-dicarbonyl compound | 20130405 |
JP-5959467-B2 | Method for producing 2-fluoro-1,3-dicarbonyl compound | 20130405 |
AU-2009216851-A1 | Modulators for amyloid beta | 20080222 |
AU-2009216851-B2 | Modulators for amyloid beta | 20080222 |
Complexity: | 213 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 196.0291072 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 196.0291072 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 34.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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