1-Boc-4-nitroindole - CAS 913836-24-5

Catalog:	BB040160
Product Name:	1-Boc-4-nitroindole
CAS:	913836-24-5
Synonyms:	4-nitro-1-indolecarboxylic acid tert-butyl ester; tert-butyl 4-nitroindole-1-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	tert-butyl 4-nitroindole-1-carboxylate
Description:	1-Boc-4-nitroindole (CAS# 913836-24-5) is a useful research chemical.
Molecular Weight:	262.26
Molecular Formula:	C13H14N2O4
Canonical SMILES:	CC(C)(C)OC(=O)N1C=CC2=C1C=CC=C2[N+](=O)[O-]
InChI:	InChI=1S/C13H14N2O4/c1-13(2,3)19-12(16)14-8-7-9-10(14)5-4-6-11(9)15(17)18/h4-8H,1-3H3
InChI Key:	UKMLUDGMHPZXGN-UHFFFAOYSA-N
Boiling Point:	395.3 °C at 760 mmHg
Density:	1.26 g/cm³
LogP:	3.85590

Publication Number	Title	Priority Date
KR-102178181-B1	Novel hydrazone derivatives comprising aryl or heteroaryl group substituted at terminal amine and use thereof	20200331
KR-20200076655-A	Novel hydrazone derivatives comprising aryl or heteroaryl group substituted at terminal amine and use thereof	20200331
WO-2020130214-A1	Novel hydrazone derivative with aryl or heteroaryl group substituted at terminal amine group thereof and use thereof	20181219
KR-20200076808-A	Novel hydrazone derivatives comprising aryl or heteroaryl group substituted at terminal amine and use thereof	20181219
KR-102128509-B1	Novel hydrazone derivatives comprising aryl or heteroaryl group substituted at terminal amine and use thereof	20181219

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Complexity:	372
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	262.09535693
Formal Charge:	0
Heavy Atom Count:	19
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	262.09535693
Rotatable Bond Count:	2
Topological Polar Surface Area:	77
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.1