7-Bromo-1H-indazole - CAS 53857-58-2

Catalog:	BB028375
Product Name:	7-Bromo-1H-indazole
CAS:	53857-58-2
Synonyms:	7-bromo-1H-indazole

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Computed Properties

IUPAC Name:	7-bromo-1H-indazole
Description:	7-Bromo-1H-indazole (CAS# 53857-58-2) is a useful research chemical.
Molecular Weight:	197.03
Molecular Formula:	C7H5BrN2
Canonical SMILES:	C1=CC2=C(C(=C1)Br)NN=C2
InChI:	InChI=1S/C7H5BrN2/c8-6-3-1-2-5-4-9-10-7(5)6/h1-4H,(H,9,10)
InChI Key:	KMHHWCPTROQUFM-UHFFFAOYSA-N
Boiling Point:	333.8 °C at 760 mmHg
Purity:	97.0 %
Density:	1.77 g/cm³
MDL:	MFCD07371564
LogP:	2.32540

Publication Number	Title	Priority Date
WO-2021111124-A1	Polyheterocyclic compounds as mettl3 inhibitors	20191202
US-2021052586-A1	Compounds and methods for treating oxalate-related diseases	20190822
WO-2021035196-A1	Compounds and methods for treating oxalate-related diseases	20190822
CN-109887764-A	The electrolyte and preparation method thereof of nickelic ternary system capacitor batteries	20190124
CN-109887764-B	Electrolyte of high-nickel ternary system capacitor battery and preparation method thereof	20190124

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

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Related Functional Groups

Indazoles

[1082041-85-7]
5-Bromo-4-fluoro-1H-indazole
[590417-95-1]
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[1260381-83-6]
5-Bromo-7-fluoro-1H-indazole
[353457-63-3]
4-(3-(Trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl)aniline
[404827-78-7]
4-Fluoro-1H-indazol-3-amine
[937601-52-0]
3-(3-(Trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl)butanenitrile

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GHS Hazard Statement:	H302 (88.64%): 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:	195.96361
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	195.96361
Rotatable Bond Count:	0
Topological Polar Surface Area:	28.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2