7-Fluoro-1H-indazole - CAS 341-24-2

Catalog:	BB021973
Product Name:	7-Fluoro-1H-indazole
CAS:	341-24-2
Synonyms:	7-fluoro-1H-indazole; 7-fluoro-1H-indazole

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Computed Properties

IUPAC Name:	7-fluoro-1H-indazole
Description:	7-Fluoro-1H-indazole (CAS# 341-24-2) is a useful research chemical.
Molecular Weight:	136.13
Molecular Formula:	C7H5FN2
Canonical SMILES:	C1=CC2=C(C(=C1)F)NN=C2
InChI:	InChI=1S/C7H5FN2/c8-6-3-1-2-5-4-9-10-7(5)6/h1-4H,(H,9,10)
InChI Key:	FQNFMARSNKXCAF-UHFFFAOYSA-N
Boiling Point:	274.9 °C at 760 mmHg
Density:	1.37 g/cm³
MDL:	MFCD09026976
LogP:	1.70200

Publication Number	Title	Priority Date
US-2020369656-A1	Inhibitors of camkk2 and uses of same	20190524
WO-2018181456-A1	Indazole derivative and pharmaceutical drug containing same	20170329
JP-2020111510-A	Indazole derivative and pharmaceutical containing the same	20170329
KR-20190126831-A	Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for the treatment of medical disorders	20170301
KR-20190038841-A	Inhibitors of cyclin-dependent kinase 7 (CDK7)	20160713

PMID	Publication Date	Title	Journal
18159923	20080124	7-fluoroindazoles as potent and selective inhibitors of factor Xa	Journal of medicinal chemistry

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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:	129
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	136.04367633
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	136.04367633
Rotatable Bond Count:	0
Topological Polar Surface Area:	28.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7