4-Bromo-1H-indazole - CAS 186407-74-9

Catalog:	BB014318
Product Name:	4-Bromo-1H-indazole
CAS:	186407-74-9
Synonyms:	4-bromo-1H-indazole

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Computed Properties

IUPAC Name:	4-bromo-1H-indazole
Description:	4-Bromo-1H-indazole (CAS# 186407-74-9) is a useful research chemical.
Molecular Weight:	197.03
Molecular Formula:	C7H5BrN2
Canonical SMILES:	C1=CC2=C(C=NN2)C(=C1)Br
InChI:	InChI=1S/C7H5BrN2/c8-6-2-1-3-7-5(6)4-9-10-7/h1-4H,(H,9,10)
InChI Key:	KJIODOACRIRBPB-UHFFFAOYSA-N
Boiling Point:	333.8 °C at 760 mmHg
Purity:	97.0 %
Density:	1.77 g/cm³
MDL:	MFCD05664001
LogP:	2.32540

Publication Number	Title	Priority Date
AU-2020104403-A4	Compound and application thereof in synthesis of pdl1 antagonist drug molecules	20201230
CN-111995577-A	Synthetic method of 4-fluoro indazole 3-carbonitrile or derivatives thereof	20200909
WO-2021173917-A1	Inhibitors of receptor interacting protein kinase i for the treatment of disease	20200228
WO-2021152149-A1	Ras inhibitors and methods of using the same	20200131
WO-2021143701-A1	Pyrimidine-4(3h)-ketone heterocyclic compound, preparation method therefor and use thereof in medicine and pharmacology	20200119

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

[253801-04-6]
Indazole-5-carboxaldehyde
[43120-28-1]
Methyl 1H-indazole-3-carboxylate
[78299-75-9]
5-Benzyloxy-1H-indazole
[1082041-90-4]
5-Bromo-4-chloro-1H-indazole
[1095539-84-6]
6-Bromo-1,3-dimethyl-1H-indazole
[404827-78-7]
4-Fluoro-1H-indazol-3-amine

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GHS Hazard Statement:	H301 (93.48%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

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