5-Bromo-1-(2-tetrahydropyranyl)indazole - CAS 478828-53-4

Catalog:	BB026419
Product Name:	5-Bromo-1-(2-tetrahydropyranyl)indazole
CAS:	478828-53-4
Synonyms:	5-bromo-1-(2-oxanyl)indazole; 5-bromo-1-(oxan-2-yl)indazole

Technical Data

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Computed Properties

IUPAC Name:	5-bromo-1-(oxan-2-yl)indazole
Description:	5-Bromo-1-(2-tetrahydropyranyl)indazole (CAS# 478828-53-4) is a useful research chemical.
Molecular Weight:	281.15
Molecular Formula:	C12H13BrN2O
Canonical SMILES:	C1CCOC(C1)N2C3=C(C=C(C=C3)Br)C=N2
InChI:	InChI=1S/C12H13BrN2O/c13-10-4-5-11-9(7-10)8-14-15(11)12-3-1-2-6-16-12/h4-5,7-8,12H,1-3,6H2
InChI Key:	SOSQXTINASWATM-UHFFFAOYSA-N
LogP:	3.49790

Publication Number	Title	Priority Date
WO-2021143680-A1	Heteroaryl derivative, preparation method therefor, and use thereof	20200116
US-2021128532-A1	Heterocyclic carboxylate compounds as glycolate oxidase inhibitors	20191101
WO-2021086874-A1	Heterocyclic carboxylate compounds as glycolate oxidase inhibitors	20191101
US-2020360523-A1	Anti-cancer nuclear hormone receptor-targeting compounds	20190514
WO-2020232119-A1	Anti-cancer nuclear hormone receptor-targeting compounds	20190514

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	251
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	280.02113
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	280.02113
Rotatable Bond Count:	1
Topological Polar Surface Area:	27
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	3