5-(Boc-amino)-6-bromo-1H-indazole - CAS 1799835-16-7

Catalog:	BB013628
Product Name:	5-(Boc-amino)-6-bromo-1H-indazole
CAS:	1799835-16-7
Synonyms:	N-(6-bromo-1H-indazol-5-yl)carbamic acid tert-butyl ester; tert-butyl N-(6-bromo-1H-indazol-5-yl)carbamate

Technical Data

Patents

Computed Properties

IUPAC Name:	tert-butyl N-(6-bromo-1H-indazol-5-yl)carbamate
Description:	5-(Boc-amino)-6-bromo-1H-indazole (CAS# 1799835-16-7 ) is a useful research chemical.
Molecular Weight:	312.16
Molecular Formula:	C12H14BrN3O2
Canonical SMILES:	CC(C)(C)OC(=O)NC1=C(C=C2C(=C1)C=NN2)Br
InChI:	InChI=1S/C12H14BrN3O2/c1-12(2,3)18-11(17)15-10-4-7-6-14-16-9(7)5-8(10)13/h4-6H,1-3H3,(H,14,16)(H,15,17)
InChI Key:	MSTCOTHOOSFIRZ-UHFFFAOYSA-N
LogP:	3.74540

Publication Number	Title	Priority Date
AU-2014364744-B2	Novel carboxamides, method for the production thereof, pharmaceutical preparations comprising them, and use thereof for producing medicaments	20131219
CA-2934137-A1	Novel carboxamides, method for the production thereof, pharmaceutical preparations comprising them, and use thereof for producing medicaments	20131219
DK-3083586-T3	NEW INDAZOLCARBOXAMIDES, PROCEDURES FOR THE PRODUCTION OF THEM, PHARMACEUTICAL PREPARATIONS CONTAINING THESE AND THEIR USE FOR THE PRODUCTION OF MEDICINAL PRODUCTS	20131219
EP-3083586-B1	Novel carboxamides, method for the production thereof, pharmaceutical preparations comprising them, and use thereof for producing medicaments	20131219
TW-201607940-A	Novel oxazole carboxamide, preparation method thereof, pharmaceutical preparation containing the same, and use thereof for manufacturing medicine	20131219

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Complexity:	319
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	311.02694
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	311.02694
Rotatable Bond Count:	3
Topological Polar Surface Area:	67
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.8