tert-butyl 6,6-difluoro-1,4-diazepane-1-carboxylate


Chemical Name: tert-butyl 6,6-difluoro-1,4-diazepane-1-carboxylate
CAS Number: 1166820-07-0
Product Number: AG000CZL(AGN-PC-0WO09D)
Synonyms:
MDL No:
Molecular Formula: C10H18F2N2O2
Molecular Weight: 236.2589

Identification/Properties


Computed Properties
Molecular Weight:
236.263g/mol
XLogP3:
1.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
2
Exact Mass:
236.134g/mol
Monoisotopic Mass:
236.134g/mol
Topological Polar Surface Area:
41.6A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
264
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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