6-Bromo-5-methoxy-1H-indazole - CAS 1206800-17-0

Catalog:	BB004925
Product Name:	6-Bromo-5-methoxy-1H-indazole
CAS:	1206800-17-0
Synonyms:	6-bromo-5-methoxy-1H-indazole; 6-bromo-5-methoxy-1H-indazole

Technical Data

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Computed Properties

IUPAC Name:	6-bromo-5-methoxy-1H-indazole
Description:	6-Bromo-5-methoxy-1H-indazole (CAS# 1206800-17-0) is a useful research chemical.
Molecular Weight:	227.06
Molecular Formula:	C8H7BrN2O
Canonical SMILES:	COC1=C(C=C2C(=C1)C=NN2)Br
InChI:	InChI=1S/C8H7BrN2O/c1-12-8-2-5-4-10-11-7(5)3-6(8)9/h2-4H,1H3,(H,10,11)
InChI Key:	USRTZJDWQCNIEN-UHFFFAOYSA-N
Appearance:	Yellow to orange powder
LogP:	2.33400

Publication Number	Title	Priority Date
CN-112174945-A	Indazole compound with anticancer effect and preparation method and application thereof	20190702
WO-2020096916-A2	Inhibitors of histone deacetylase useful for the treatment or prevention of hiv infection	20181108
EP-3876928-A2	Inhibitors of histone deacetylase useful for the treatment or prevention of hiv infection	20181108
US-2015038510-A1	Cinnoline derivatives	20120327
US-9365566-B2	Cinnoline derivatives	20120327

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Related Functional Groups

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[1006-28-6]
(1H-Indazol-3-yl)-methyl-amine
[78299-75-9]
5-Benzyloxy-1H-indazole
[1095539-84-6]
6-Bromo-1,3-dimethyl-1H-indazole

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P312, 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 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2