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887590-22-9 | 1-Piperidinecarboxylicacid, 3-[(4-fluorophenyl)sulfonyl]-, 1,1-dimethylethyl ester
CAS No: 887590-22-9 Catalog No: AG004DEI MDL No:
Product Description
Catalog Number:
AG004DEI
Chemical Name:
1-Piperidinecarboxylicacid, 3-[(4-fluorophenyl)sulfonyl]-, 1,1-dimethylethyl ester
CAS Number:
887590-22-9
Molecular Formula:
C16H22FNO4S
Molecular Weight:
343.4136
IUPAC Name:
tert-butyl 3-(4-fluorophenyl)sulfonylpiperidine-1-carboxylate
InChI:
InChI=1S/C16H22FNO4S/c1-16(2,3)22-15(19)18-10-4-5-14(11-18)23(20,21)13-8-6-12(17)7-9-13/h6-9,14H,4-5,10-11H2,1-3H3
InChI Key:
BXLYXLSDBIYVET-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)S(=O)(=O)C1CCCN(C1)C(=O)OC(C)(C)C
Properties
Complexity:
515
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
343.125g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
343.413g/mol
Monoisotopic Mass:
343.125g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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