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2172518-29-3 | tert-butyl 5-amino-4,4-difluoroazepane-1-carboxylate
CAS No: 2172518-29-3 Catalog No: AG01FJQL MDL No:
Product Description
Catalog Number:
AG01FJQL
Chemical Name:
tert-butyl 5-amino-4,4-difluoroazepane-1-carboxylate
CAS Number:
2172518-29-3
Molecular Formula:
C11H20F2N2O2
Molecular Weight:
250.2855
IUPAC Name:
tert-butyl 5-amino-4,4-difluoroazepane-1-carboxylate
InChI:
InChI=1S/C11H20F2N2O2/c1-10(2,3)17-9(16)15-6-4-8(14)11(12,13)5-7-15/h8H,4-7,14H2,1-3H3
InChI Key:
YUTCOHXJWJSWSE-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(C(CC1)(F)F)N)OC(C)(C)C
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.149g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
250.29g/mol
Monoisotopic Mass:
250.149g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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