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937012-38-9 | tert-Butyl 4-(4-bromophenylsulfonamido)piperidine-1-carboxylate
CAS No: 937012-38-9 Catalog No: AG01F63L MDL No:
Product Description
Catalog Number:
AG01F63L
Chemical Name:
tert-Butyl 4-(4-bromophenylsulfonamido)piperidine-1-carboxylate
CAS Number:
937012-38-9
Molecular Formula:
C16H23BrN2O4S
Molecular Weight:
419.3338
IUPAC Name:
tert-butyl 4-[(4-bromophenyl)sulfonylamino]piperidine-1-carboxylate
InChI:
InChI=1S/C16H23BrN2O4S/c1-16(2,3)23-15(20)19-10-8-13(9-11-19)18-24(21,22)14-6-4-12(17)5-7-14/h4-7,13,18H,8-11H2,1-3H3
InChI Key:
KDZBYSNWVMYVMX-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(CC1)NS(=O)(=O)c1ccc(cc1)Br)OC(C)(C)C
Properties
Complexity:
525
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
418.056g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
419.334g/mol
Monoisotopic Mass:
418.056g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
84.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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