Tert-butyl 3-fluoro-4-oxoazepane-1-carboxylate

Base Information

• Chemical Name: Tert-butyl 3-fluoro-4-oxoazepane-1-carboxylate
• CAS No.: 644982-12-7
• Molecular Formula: C11H18 F N O3
• Molecular Weight: 231.26400
• European Community (EC) Number: 849-866-9
• DSSTox Substance ID: DTXSID30697028
• Mol file: 644982-12-7.mol

Synonyms:TERT-BUTYL 3-FLUORO-4-OXOAZEPANE-1-CARBOXYLATE;644982-12-7;SCHEMBL1963747;DTXSID30697028;IDKJZSHWZNDJJV-UHFFFAOYSA-N;MFCD11559002;AKOS027255324;BS-41778;CS-0037226;EN300-268839;tert-butyl 3-fluoro-4-oxo-azepane-1-carboxylate;A834782;TERT-BUTYL3-FLUORO-4-OXOAZEPANE-1-CARBOXYLATE;1H-Azepine-1-carboxylicacid,3-fluorohexahydro-4-oxo-,1,1-dimethylethyl ester

Chemical Property of Tert-butyl 3-fluoro-4-oxoazepane-1-carboxylate

Chemical Property:

• PSA: 46.61000
• LogP: 1.86240
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 231.12707160
• Heavy Atom Count: 16
• Complexity: 285

Purity/Quality:

95-99% ^*data from raw suppliers

Tert-Butyl3-Fluoro-4-oxoazepane-1-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N1CCCC(=O)C(C1)F