6-Bromo-1-methyl-1H-indazole - CAS 590417-94-0

Catalog:	BB030251
Product Name:	6-Bromo-1-methyl-1H-indazole
CAS:	590417-94-0
Synonyms:	6-bromo-1-methylindazole; 6-bromo-1-methylindazole

Technical Data

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Computed Properties

IUPAC Name:	6-bromo-1-methylindazole
Description:	6-Bromo-1-methyl-1H-indazole (CAS# 590417-94-0) is a useful research chemical.
Molecular Weight:	211.06
Molecular Formula:	C8H7BrN2
Canonical SMILES:	CN1C2=C(C=CC(=C2)Br)C=N1
InChI:	InChI=1S/C8H7BrN2/c1-11-8-4-7(9)3-2-6(8)5-10-11/h2-5H,1H3
InChI Key:	SVVSOIGNROPKMS-UHFFFAOYSA-N
Boiling Point:	293.616 °C at 760 mmHg
Density:	1.607 g/cm³
MDL:	MFCD09878569
LogP:	2.33580

Publication Number	Title	Priority Date
WO-2021115335-A1	Compound as cyclin-dependent kinase 9 inhibitor and use thereof	20191209
US-2021052586-A1	Compounds and methods for treating oxalate-related diseases	20190822
WO-2021035196-A1	Compounds and methods for treating oxalate-related diseases	20190822
WO-2020253533-A1	Synthesis method for 1-methyl-1h-indazole-6-carboxylic acid	20190617
WO-2020114892-A1	4-heteroarylcarbonyl-n-(phenyl or heteroaryl) piperidine-1-carboxamides as inhibitors of tankyrases	20181203

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GHS Hazard Statement:	H302 (95.12%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P312, P330, and P501
Signal Word:	Warning

Complexity:	151
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	209.97926
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	209.97926
Rotatable Bond Count:	0
Topological Polar Surface Area:	17.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.8