6-Bromo-2-methyl-2H-indazole - CAS 590417-95-1

Catalog:	BB030252
Product Name:	6-Bromo-2-methyl-2H-indazole
CAS:	590417-95-1
Synonyms:	6-bromo-2-methylindazole; 6-bromo-2-methylindazole

Technical Data

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Computed Properties

IUPAC Name:	6-bromo-2-methylindazole
Description:	6-Bromo-2-methyl-2H-indazole (CAS# 590417-95-1) is a useful research chemical.
Molecular Weight:	211.06
Molecular Formula:	C8H7BrN2
Canonical SMILES:	CN1C=C2C=CC(=CC2=N1)Br
InChI:	InChI=1S/C8H7BrN2/c1-11-5-6-2-3-7(9)4-8(6)10-11/h2-5H,1H3
InChI Key:	BVYFYDANLZQCPV-UHFFFAOYSA-N
Boiling Point:	322.677 °C at 760 mmHg
Density:	1.607 g/cm³
MDL:	MFCD09870048
LogP:	2.33580

Publication Number	Title	Priority Date
WO-2021174164-A1	Compounds and methods for modulating splicing	20200228
WO-2021174165-A1	Heterocyclic amides and their use for modulating splicing	20200228
WO-2021174174-A1	Thiophenyl derivatives useful for modulating nucleic acid splicing	20200228
WO-2021121294-A1	Triazolopyridazine derivative, preparation method therefor, pharmaceutical composition thereof, and use thereof	20191216
CN-111714628-A	Small molecule PD-1/PD-L1 inhibitor, pharmaceutical composition of small molecule PD-1/PD-L1 inhibitor and PD-L1 antibody and application of small molecule PD-1/PD-L1 inhibitor and pharmaceutical composition	20190322

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GHS Hazard Statement:	H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, 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:	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:	2.6