3-Bromo-5-nitro-1H-indazole - CAS 67400-25-3

Catalog:	BB033270
Product Name:	3-Bromo-5-nitro-1H-indazole
CAS:	67400-25-3
Synonyms:	3-bromo-5-nitro-2H-indazole; 3-bromo-5-nitro-2H-indazole

Technical Data

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Computed Properties

IUPAC Name:	3-bromo-5-nitro-2H-indazole
Description:	3-Bromo-5-nitro-1H-indazole (CAS# 67400-25-3) is a useful research chemical.
Molecular Weight:	242.03
Molecular Formula:	C7H4BrN3O2
Canonical SMILES:	C1=CC2=NNC(=C2C=C1[N+](=O)[O-])Br
InChI:	InChI=1S/C7H4BrN3O2/c8-7-5-3-4(11(12)13)1-2-6(5)9-10-7/h1-3H,(H,9,10)
InChI Key:	SYTGRKBQTUKOAI-UHFFFAOYSA-N
Boiling Point:	257 °C at 760 mmHg
Density:	1.965 g/cm³
MDL:	MFCD07367964
LogP:	2.75680

Publication Number	Title	Priority Date
CN-111875594-A	Indazole heterocycles having phosphodiesterase 4B inhibitory activity	20200721
WO-2021194878-A1	Selective modulators of mutant lrrk2 proteolysis and associated methods of use	20200321
WO-2021178780-A1	Indazoles and azaindazoles as lrrk2 inhibitors	20200306
KR-20210076879-A	Novel pyrimidine derivatives and use thereof	20191216
WO-2021125803-A1	Novel pyrimidin derivative and use thereof	20191216

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Related Functional Groups

Indazoles

[885278-74-0]
Ethyl 1H-Indazole-7-carboxylate
[253801-04-6]
Indazole-5-carboxaldehyde
[13744-68-8]
N1-(6-Indazolyl)sulfanilamide
[1082041-85-7]
5-Bromo-4-fluoro-1H-indazole
[885518-50-3]
4-Amino-6-bromo-1H-indazole
[807287-45-2]
3-(Chloromethyl)-4,5,6,7-tetrahydro-1H-indazole

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GHS Hazard Statement:	H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P310, P321, P330, P405, and P501
Signal Word:	Danger

Complexity:	220
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	240.94869
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	240.94869
Rotatable Bond Count:	0
Topological Polar Surface Area:	74.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4