5-Bromo-2-methyl-2H-indazole - CAS 465529-56-0

Catalog:	BB026153
Product Name:	5-Bromo-2-methyl-2H-indazole
CAS:	465529-56-0
Synonyms:	5-bromo-2-methylindazole; 5-bromo-2-methylindazole

Technical Data

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Computed Properties

IUPAC Name:	5-bromo-2-methylindazole
Description:	5-Bromo-2-methyl-2H-indazole (CAS# 465529-56-0) is a useful research chemical.
Molecular Weight:	211.06
Molecular Formula:	C8H7BrN2
Canonical SMILES:	CN1C=C2C=C(C=CC2=N1)Br
InChI:	InChI=1S/C8H7BrN2/c1-11-5-6-4-7(9)2-3-8(6)10-11/h2-5H,1H3
InChI Key:	QFZOHVHNTZTZMJ-UHFFFAOYSA-N
Boiling Point:	322.677 °C at 760 mmHg
Density:	1.607 g/cm³
MDL:	MFCD09870047
LogP:	2.33580

Publication Number	Title	Priority Date
WO-2021207532-A1	Compounds and methods for modulating splicing	20200408
KR-102178181-B1	Novel hydrazone derivatives comprising aryl or heteroaryl group substituted at terminal amine and use thereof	20200331
KR-20200076655-A	Novel hydrazone derivatives comprising aryl or heteroaryl group substituted at terminal amine and use thereof	20200331
CN-113024435-A	Linbicyclic structure sigma-1 receptor inhibitors	20191209
WO-2021041237-A1	Thyroid hormone receptor beta agonist compounds	20190823

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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+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:	2.3