6-Chloro-1H-indazole - CAS 698-25-9

Catalog:	BB033987
Product Name:	6-Chloro-1H-indazole
CAS:	698-25-9
Synonyms:	6-chloro-1H-indazole; 6-chloro-1H-indazole

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Computed Properties

IUPAC Name:	6-chloro-1H-indazole
Description:	6-Chloro-1H-indazole (CAS# 698-25-9) is a useful research chemical.
Molecular Weight:	152.58
Molecular Formula:	C7H5ClN2
Canonical SMILES:	C1=CC2=C(C=C1Cl)NN=C2
InChI:	InChI=1S/C7H5ClN2/c8-6-2-1-5-4-9-10-7(5)3-6/h1-4H,(H,9,10)
InChI Key:	VUZQHUVRBPILAX-UHFFFAOYSA-N
Boiling Point:	309.5 °C at 760 mmHg
Purity:	97.0 %
Density:	1.425 g/cm³
MDL:	MFCD07774234
LogP:	2.21630

Publication Number	Title	Priority Date
WO-2021067827-A1	Mcl1 inhibitors and uses thereof	20191003
US-2020399241-A1	3-arylindazoles as selective mek4 inhibitors	20190624
WO-2020238220-A1	Method for preparing pazopanib hydrochloride	20190524
US-2020299285-A1	Carboxylic acid, acyl sulfonamide and acyl sulfamide-derivatized bicyclic aza-heteroaromatics as selective mcl-1 inhibitors and as dual mcl-1/bcl-2 inhibitors	20190321
WO-2019174576-A1	Imidaxopyrolone compound and application thereof	20180312

PMID	Publication Date	Title	Journal
19679481	20090901	Fluorinated indazoles as novel selective inhibitors of nitric oxide synthase (NOS): synthesis and biological evaluation	Bioorganic & medicinal chemistry
17395463	20070601	4-substituted indazoles as new inhibitors of neuronal nitric oxide synthase	Bioorganic & medicinal chemistry letters
11354365	20010507	Inhibition of neuronal nitric oxide synthase by 7-methoxyindazole and related substituted indazoles	Bioorganic & medicinal chemistry letters

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Related Functional Groups

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	129
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	152.0141259
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	152.0141259
Rotatable Bond Count:	0
Topological Polar Surface Area:	28.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.9