5-Aminobenzo[d]isoxazole - CAS 239097-74-6

Catalog:	BB018241
Product Name:	5-Aminobenzo[d]isoxazole
CAS:	239097-74-6
Synonyms:	1,2-benzoxazol-5-amine; 1,2-benzoxazol-5-amine

Technical Data

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Computed Properties

IUPAC Name:	1,2-benzoxazol-5-amine
Description:	5-Aminobenzo[d]isoxazole (CAS# 239097-74-6) is a useful research chemical compound.
Molecular Weight:	134.14
Molecular Formula:	C7H6N2O
Canonical SMILES:	C1=CC2=C(C=C1N)C=NO2
InChI:	InChI=1S/C7H6N2O/c8-6-1-2-7-5(3-6)4-9-10-7/h1-4H,8H2
InChI Key:	KSYPAYCLSJHBKA-UHFFFAOYSA-N
LogP:	1.99120

Publication Number	Title	Priority Date
WO-2021093172-A1	Hbv inhibitor and use thereof	20191113
WO-2020147774-A1	Use of quinazoline derivative in preparation of drug for treating nasopharyngeal carcinoma	20190118
US-2021078958-A1	Quinazoline derivative and use thereof	20171219
EP-3452045-A1	Methods of treatment and combination therapies using gcase activator heterobicyclic and related compounds	20160504
WO-2017192841-A1	Methods of treatment and combination therapies using gcase activator heterobicyclic and related compounds	20160504

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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:	129
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	134.048012819
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	134.048012819
Rotatable Bond Count:	0
Topological Polar Surface Area:	52 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1