3-(Nitromethyl)cyclopentanone - CAS 81266-47-9
Catalog: |
BB036635 |
Product Name: |
3-(Nitromethyl)cyclopentanone |
CAS: |
81266-47-9 |
Synonyms: |
3-(nitromethyl)-1-cyclopentanone; 3-(nitromethyl)cyclopentan-1-one |
IUPAC Name: | 3-(nitromethyl)cyclopentan-1-one |
Description: | 3-(Nitromethyl)cyclopentanone (CAS# 81266-47-9 ) is a useful research chemical. |
Molecular Weight: | 143.14 |
Molecular Formula: | C6H9NO3 |
Canonical SMILES: | C1CC(=O)CC1C[N+](=O)[O-] |
InChI: | InChI=1S/C6H9NO3/c8-6-2-1-5(3-6)4-7(9)10/h5H,1-4H2 |
InChI Key: | OXUCMXDWKATUHP-UHFFFAOYSA-N |
Boiling Point: | 279.82 ℃ at 760 mmHg |
Density: | 1.202 g/cm3 |
LogP: | 1.15550 |
Publication Number | Title | Priority Date |
AU-2015252654-A1 | Polyfluorinated compounds acting as Bruton's tyrosine kinase inhibitors | 20140429 |
AU-2015252654-B2 | Polyfluorinated compounds acting as Bruton's tyrosine kinase inhibitors | 20140429 |
AU-2015252654-C1 | Polyfluorinated compounds acting as Bruton's tyrosine kinase inhibitors | 20140429 |
CA-2947338-A1 | Multi-fluoro-substituted compound as bruton's tyrosine kinase (btk) inhibitor | 20140429 |
CN-108295073-B | Polyfluoro compounds as bruton's tyrosine kinase inhibitors | 20140429 |
Complexity: | 161 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 143.058243149 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 143.058243149 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 62.9 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.1 |
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