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Home > Indoles and Oxindole > 1342806-94-3
1342806-94-3 | 3-(1-Boc-1,2,5,6-tetrahydro-4-pyridyl)-6-nitroindole
CAS No: 1342806-94-3 Catalog No: AG00HTA5 MDL No:
Product Description
Catalog Number:
AG00HTA5
Chemical Name:
3-(1-Boc-1,2,5,6-tetrahydro-4-pyridyl)-6-nitroindole
CAS Number:
1342806-94-3
IUPAC Name:
tert-butyl 4-(6-nitro-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
InChI:
InChI=1S/C18H21N3O4/c1-18(2,3)25-17(22)20-8-6-12(7-9-20)15-11-19-16-10-13(21(23)24)4-5-14(15)16/h4-6,10-11,19H,7-9H2,1-3H3
InChI Key:
LTESQFJZJKEXDH-UHFFFAOYSA-N
Properties
Complexity:
564
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
343.153g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
343.383g/mol
Monoisotopic Mass:
343.153g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
91.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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