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954227-55-5 | 1-N-Boc-4-(4-Bromo-2-fluorophenoxy)piperidine
CAS No: 954227-55-5 Catalog No: AG01F05O MDL No:
Product Description
Catalog Number:
AG01F05O
Chemical Name:
1-N-Boc-4-(4-Bromo-2-fluorophenoxy)piperidine
CAS Number:
954227-55-5
Molecular Formula:
C16H21BrFNO3
Molecular Weight:
374.2452
IUPAC Name:
tert-butyl 4-(4-bromo-2-fluorophenoxy)piperidine-1-carboxylate
InChI:
InChI=1S/C16H21BrFNO3/c1-16(2,3)22-15(20)19-8-6-12(7-9-19)21-14-5-4-11(17)10-13(14)18/h4-5,10,12H,6-9H2,1-3H3
InChI Key:
MKILXTQVUSIKIX-UHFFFAOYSA-N
SMILES:
Brc1ccc(c(c1)F)OC1CCN(CC1)C(=O)OC(C)(C)C
Properties
Complexity:
380
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
373.069g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
374.25g/mol
Monoisotopic Mass:
373.069g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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