5-Bromo-6-methoxy-1H-indazole - CAS 152626-78-3

Catalog:	BB010802
Product Name:	5-Bromo-6-methoxy-1H-indazole
CAS:	152626-78-3
Synonyms:	5-bromo-6-methoxy-1H-indazole; 5-bromo-6-methoxy-1H-indazole

Technical Data

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Computed Properties

IUPAC Name:	5-bromo-6-methoxy-1H-indazole
Description:	5-Bromo-6-methoxy-1H-indazole (CAS# 152626-78-3) is a useful chemical for organic synthesis and reactions.
Molecular Weight:	227.06
Molecular Formula:	C8H7BrN2O
Canonical SMILES:	COC1=C(C=C2C=NNC2=C1)Br
InChI:	InChI=1S/C8H7BrN2O/c1-12-8-3-7-5(2-6(8)9)4-10-11-7/h2-4H,1H3,(H,10,11)
InChI Key:	WTPPKDNNECOBGC-UHFFFAOYSA-N
Boiling Point:	363.4 °C at 760 mmHg
Density:	1.678 g/cm³
MDL:	MFCD11007880
LogP:	2.33400

Publication Number	Title	Priority Date
WO-2021121294-A1	Triazolopyridazine derivative, preparation method therefor, pharmaceutical composition thereof, and use thereof	20191216
WO-2020263967-A1	2h-indazole derivatives and their use in the treatment of disease	20190627
WO-2020163541-A1	Methods and compositions for modulating splicing	20190205
BR-112020026545-A2	HETEROCYCLIC AND HETEROARYL COMPOUNDS FOR THE TREATMENT OF HUNTINGTON'S DISEASE	20180627
CN-112654625-A	Heterocyclic and heteroaryl compounds for the treatment of huntington's disease	20180627

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P317, P330, and P501
Signal Word:	Warning

Complexity:	167
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	225.97418
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	225.97418
Rotatable Bond Count:	1
Topological Polar Surface Area:	37.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2