4-Nitro-1H-indazole - CAS 2942-40-7

Catalog:	BB020196
Product Name:	4-Nitro-1H-indazole
CAS:	2942-40-7
Synonyms:	4-nitro-1H-indazole; 4-nitro-1H-indazole

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Computed Properties

IUPAC Name:	4-nitro-1H-indazole
Description:	4-Nitro-1H-indazole (CAS# 2942-40-7) is a useful research chemical.
Molecular Weight:	163.13
Molecular Formula:	C7H5N3O2
Canonical SMILES:	C1=CC2=C(C=NN2)C(=C1)[N+](=O)[O-]
InChI:	InChI=1S/C7H5N3O2/c11-10(12)7-3-1-2-6-5(7)4-8-9-6/h1-4H,(H,8,9)
InChI Key:	WBTVZVUYPVQEIF-UHFFFAOYSA-N
Boiling Point:	383.3 °C at 760 mmHg
Density:	1.525 g/cm³
MDL:	MFCD00022784
LogP:	1.99430

Publication Number	Title	Priority Date
WO-2021111124-A1	Polyheterocyclic compounds as mettl3 inhibitors	20191202
WO-2021105916-A1	Sulfonamide compounds targeting cd73 and adenosine receptors	20191126
WO-2020201773-A1	Mettl3 inhibitory compounds	20190405
WO-2020138320-A1	Transparent heat-shielding/heat-insulating member and method for producing same	20181227
CN-110885328-A	Sulfonamide compounds as sodium channel blockers and uses thereof	20180910

PMID	Publication Date	Title	Journal
21754748	20110601	N-(7-Eth-oxy-1H-indazol-4-yl)-4-methyl-benzene-sulfonamide	Acta crystallographica. Section E, Structure reports online
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
14712059	20040101	Regioisomeric 4-nitroindazole N1- and N2-(beta-D-ribonucleosides)	Acta crystallographica. Section C, Crystal structure communications
15043149	20040101	Regioselective synthesis of indazole N1- and N2-(beta-D-ribonucleosides)	Nucleosides, nucleotides & nucleic acids

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Related Functional Groups

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[1006-28-6]
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[290368-00-2]
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GHS Hazard Statement:	H311 (100%): Toxic in contact with skin [Danger Acute toxicity, dermal]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P322, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	192
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	163.038176411
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	163.038176411
Rotatable Bond Count:	0
Topological Polar Surface Area:	74.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4