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1858240-22-8 | 1-({4-[4-Nitro-2-(trifluoromethyl)phenoxy]phenyl}sulphonyl)piperidine
CAS No: 1858240-22-8 Catalog No: AG01FGX3 MDL No:
Product Description
Catalog Number:
AG01FGX3
Chemical Name:
1-({4-[4-Nitro-2-(trifluoromethyl)phenoxy]phenyl}sulphonyl)piperidine
CAS Number:
1858240-22-8
IUPAC Name:
1-[4-[4-nitro-2-(trifluoromethyl)phenoxy]phenyl]sulfonylpiperidine
InChI:
InChI=1S/C18H17F3N2O5S/c19-18(20,21)16-12-13(23(24)25)4-9-17(16)28-14-5-7-15(8-6-14)29(26,27)22-10-2-1-3-11-22/h4-9,12H,1-3,10-11H2
InChI Key:
VAMNWUFDCBOFNZ-UHFFFAOYSA-N
Properties
Complexity:
663
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
430.081g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
430.398g/mol
Monoisotopic Mass:
430.081g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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