4,4-Difluoro-1-(4-methylphenyl)butane-1,3-dione - CAS 165328-11-0
Catalog: |
BB045504 |
Product Name: |
4,4-Difluoro-1-(4-methylphenyl)butane-1,3-dione |
CAS: |
165328-11-0 |
Synonyms: |
1,3-Butanedione, 4,4-difluoro-1-(4-methylphenyl)-; 1,1-difluoro-4-(4'-methylphenyl)butane-2,4-dione |
IUPAC Name: | 4,4-difluoro-1-(4-methylphenyl)butane-1,3-dione |
Description: | 4,4-Difluoro-1-(4-methylphenyl)butane-1,3-dione (CAS# 165328-11-0 ) is a useful research chemical. |
Molecular Weight: | 212.19 |
Molecular Formula: | C11H10F2O2 |
Canonical SMILES: | CC1=CC=C(C=C1)C(=O)CC(=O)C(F)F |
InChI: | InChI=1S/C11H10F2O2/c1-7-2-4-8(5-3-7)9(14)6-10(15)11(12)13/h2-5,11H,6H2,1H3 |
InChI Key: | JPMQITHKRYMPHA-UHFFFAOYSA-N |
Complexity: | 243 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 212.06488588 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 212.06488588 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 34.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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