3,3-Difluoro-2,2-dimethyl-1-indanone - CAS 1034921-55-5
Catalog: |
BB001153 |
Product Name: |
3,3-Difluoro-2,2-dimethyl-1-indanone |
CAS: |
1034921-55-5 |
Synonyms: |
3,3-difluoro-2,2-dimethyl-1-indenone; 3,3-difluoro-2,2-dimethylinden-1-one |
IUPAC Name: | 3,3-difluoro-2,2-dimethylinden-1-one |
Description: | 3,3-Difluoro-2,2-dimethyl-1-indanone (CAS# 1034921-55-5) is a useful research chemical. |
Molecular Weight: | 196.19 |
Molecular Formula: | C11H10F2O |
Canonical SMILES: | CC1(C(=O)C2=CC=CC=C2C1(F)F)C |
InChI: | InChI=1S/C11H10F2O/c1-10(2)9(14)7-5-3-4-6-8(7)11(10,12)13/h3-6H,1-2H3 |
InChI Key: | UNFRJPPMTNOXKL-UHFFFAOYSA-N |
LogP: | 3.00090 |
Publication Number | Title | Priority Date |
AU-2007334416-A1 | Imidazoles as aldosterone synthase inhibitors | 20061218 |
CA-2672269-A1 | Organic compounds | 20061218 |
EP-2094680-A2 | Imidazoles as aldosterone synthase inhibitors | 20061218 |
EP-2213668-A2 | Imidazoles as aldosterone synthase inhibitors | 20061218 |
JP-2010513482-A | Imidazoles as aldosterone synthase inhibitors | 20061218 |
Complexity: | 271 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 196.06997126 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 196.06997126 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 17.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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