5-Bromo-7-methyl-1H-indazole - CAS 156454-43-2

Catalog:	BB011226
Product Name:	5-Bromo-7-methyl-1H-indazole
CAS:	156454-43-2
Synonyms:	5-bromo-7-methyl-1H-indazole; 5-bromo-7-methyl-1H-indazole

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	5-bromo-7-methyl-1H-indazole
Description:	5-Bromo-7-methyl-1H-indazole (CAS# 156454-43-2) is a useful research chemical.
Molecular Weight:	211.06
Molecular Formula:	C8H7BrN2
Canonical SMILES:	CC1=C2C(=CC(=C1)Br)C=NN2
InChI:	InChI=1S/C8H7BrN2/c1-5-2-7(9)3-6-4-10-11-8(5)6/h2-4H,1H3,(H,10,11)
InChI Key:	OUNQFZFHLJLFAR-UHFFFAOYSA-N
Boiling Point:	346.2 °C at 760 mmHg
Density:	1.654 g/cm³
Appearance:	Brown powder
LogP:	2.63380

Publication Number	Title	Priority Date
WO-2021191380-A1	Triazolone compounds	20200326
WO-2021113682-A1	Masp-2 inhibitors and methods of use	20191204
WO-2021113686-A1	Masp-2 inhibitors and methods of use	20191204
WO-2021113690-A1	Masp-2 inhibitors and methods of use	20191204
WO-2021113698-A1	Masp-2 inhibitors and methods of use	20191204

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Related Functional Groups

Indazoles

[1341035-91-3]
Ethyl 3-iodo-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate
[13744-68-8]
N1-(6-Indazolyl)sulfanilamide
[590417-95-1]
6-Bromo-2-methyl-2H-indazole
[1260381-83-6]
5-Bromo-7-fluoro-1H-indazole
[78299-75-9]
5-Benzyloxy-1H-indazole
[3176-66-7]
7-Methyl-1H-indazole

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GHS Hazard Statement:	H302 (90.7%): 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:	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:	1
Isotope Atom Count:	0
Monoisotopic Mass:	209.97926
Rotatable Bond Count:	0
Topological Polar Surface Area:	28.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6