1-Boc-6-bromo-1H-indazole - CAS 877264-77-2

Catalog:	BB038613
Product Name:	1-Boc-6-bromo-1H-indazole
CAS:	877264-77-2
Synonyms:	6-bromo-1-indazolecarboxylic acid tert-butyl ester; tert-butyl 6-bromoindazole-1-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	tert-butyl 6-bromoindazole-1-carboxylate
Description:	1-Boc-6-bromo-1H-indazole (CAS# 877264-77-2) is a useful research chemical.
Molecular Weight:	297.15
Molecular Formula:	C12H13BrN2O2
Canonical SMILES:	CC(C)(C)OC(=O)N1C2=C(C=CC(=C2)Br)C=N1
InChI:	InChI=1S/C12H13BrN2O2/c1-12(2,3)17-11(16)15-10-6-9(13)5-4-8(10)7-14-15/h4-7H,1-3H3
InChI Key:	XAKCDPNWVLWUEP-UHFFFAOYSA-N
Boiling Point:	377 °C
Density:	1.46 g/cm³
LogP:	3.58200

Publication Number	Title	Priority Date
CN-108349972-A	Jak kinase inhibitor compound for treating respiratory disorder	20151103
CA-2963607-A1	Heparan sulfate biosynthesis inhibitors for the treatment of diseases	20141009
JP-2017530991-A	Inhibition of heparan sulfate biosynthesis to treat disease	20141009
US-2019151312-A1	Heparan sulfate biosynthesis inhibitors for the treatment of diseases	20141009
WO-2016057834-A1	Heparan sulfate biosynthesis inhibitors for the treatment of diseases	20141009

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	303
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	296.01604
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	296.01604
Rotatable Bond Count:	2
Topological Polar Surface Area:	44.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.5