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81186-95-0 | 1-(2,4,6-triisopropylbenzenesulfonyl)-5-(pyridin-2-yl)tetrazolide
CAS No: 81186-95-0 Catalog No: AG00GJI4 MDL No:
Product Description
Catalog Number:
AG00GJI4
Chemical Name:
1-(2,4,6-triisopropylbenzenesulfonyl)-5-(pyridin-2-yl)tetrazolide
CAS Number:
81186-95-0
IUPAC Name:
2-[1-[2,4,6-tri(propan-2-yl)phenyl]sulfonyltetrazol-5-yl]pyridine
InChI:
InChI=1S/C21H27N5O2S/c1-13(2)16-11-17(14(3)4)20(18(12-16)15(5)6)29(27,28)26-21(23-24-25-26)19-9-7-8-10-22-19/h7-15H,1-6H3
InChI Key:
SAMACTIGDXRVRF-UHFFFAOYSA-N
Properties
Complexity:
616
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
413.189g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
413.54g/mol
Monoisotopic Mass:
413.189g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
99A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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