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6-Bromo-N-(tetrahydro-2H-pyran-4-yl)-1H-indazol-3-amine

6-Bromo-N-(tetrahydro-2H-pyran-4-yl)-1H-indazol-3-amine - CAS 1214900-69-2

Catalog:	BB073423
Product Name:	6-Bromo-N-(tetrahydro-2H-pyran-4-yl)-1H-indazol-3-amine
CAS:	1214900-69-2
Synonyms:	6-bromo-N-(tetrahydro-2H-pyran-4-yl)-1H-indazol-3-amine; 6-bromo-N-(oxan-4-yl)-1H-indazol-3-amine; 1H-Indazol-3-amine, 6-bromo-N-(tetrahydro-2H-pyran-4-yl)-

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	6-bromo-N-(oxan-4-yl)-1H-indazol-3-amine
Molecular Weight:	296.16
Molecular Formula:	C12H14N3OBr
Canonical SMILES:	C1COCCC1NC2=NNC3=C2C=CC(=C3)Br
InChI:	InChI=1S/C12H14BrN3O/c13-8-1-2-10-11(7-8)15-16-12(10)14-9-3-5-17-6-4-9/h1-2,7,9H,3-6H2,(H2,14,15,16)
InChI Key:	JDCLLHCVKBKIRJ-UHFFFAOYSA-N
References:	Bahmanyar, S., et al. From PCT Int. Appl. (2010), WO 2010027500 A1 20100311.

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	260
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	295.03202
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	295.03202
Rotatable Bond Count:	2
Topological Polar Surface Area:	49.9Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3