5-Bromo-7-ethyl-1H-indazole - CAS 635712-49-1

Catalog:	BB032199
Product Name:	5-Bromo-7-ethyl-1H-indazole
CAS:	635712-49-1
Synonyms:	5-bromo-7-ethyl-1H-indazole; 5-bromo-7-ethyl-1H-indazole

Technical Data

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Computed Properties

IUPAC Name:	5-bromo-7-ethyl-1H-indazole
Description:	5-Bromo-7-ethyl-1H-indazole (CAS# 635712-49-1) is a useful research chemical.
Molecular Weight:	225.09
Molecular Formula:	C9H9BrN2
Canonical SMILES:	CCC1=C2C(=CC(=C1)Br)C=NN2
InChI:	InChI=1S/C9H9BrN2/c1-2-6-3-8(10)4-7-5-11-12-9(6)7/h3-5H,2H2,1H3,(H,11,12)
InChI Key:	UXSIDFXINVIZIM-UHFFFAOYSA-N
MDL:	MFCD11044594
LogP:	2.88780

Publication Number	Title	Priority Date
CN-110603252-A	Aryl, heteroaryl and heterocyclic pharmaceutical compounds for the treatment of medical disorders	20170301
EP-3589628-A1	Aryl, heteroary, and heterocyclic pharmaceutical compounds for treatment of medical disorders	20170301
JP-2020514331-A	Aryl, heteroaryl and heterocyclic pharmaceutical compounds for the treatment of medical disorders	20170301
KR-20190126831-A	Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for the treatment of medical disorders	20170301
US-2020071301-A1	Aryi, Heteroaryl, and Heterocyclic Pharmaceutical Compounds for Treatment of Medical Disorders	20170301

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501
Signal Word:	Warning

Complexity:	163
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	223.99491
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	223.99491
Rotatable Bond Count:	1
Topological Polar Surface Area:	28.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3