Anthranil - CAS 271-58-9

Catalog:	BB019485
Product Name:	Anthranil
CAS:	271-58-9
Synonyms:	2,1-benzoxazole

Technical Data

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Computed Properties

IUPAC Name:	2,1-benzoxazole
Description:	Anthranil (CAS# 271-58-9) is a useful research chemical.
Molecular Weight:	119.12
Molecular Formula:	C7H5NO
Canonical SMILES:	C1=CC2=CON=C2C=C1
InChI:	InChI=1S/C7H5NO/c1-2-4-7-6(3-1)5-9-8-7/h1-5H
InChI Key:	FZKCAHQKNJXICB-UHFFFAOYSA-N
Boiling Point:	215 °C at 760 mmHg
Density:	1.196 g/cm³
LogP:	1.82780

Publication Number	Title	Priority Date
CN-113214178-A	3-aryl substituted anthranilic anhydride derivative and preparation method thereof	20210528
CN-112552235-A	Synthetic method of 2, 3-diacyl quinoline compound	20201218
CN-112500339-A	Synthesis method of 8-acylquinoline derivative	20201209
CN-112500339-B	Synthesis method of 8-acylquinoline derivative	20201209
JP-2021147351-A	Method for producing Î±-olefin for polymerization	20200319

PMID	Publication Date	Title	Journal
23749163	20130801	A novel combinatorial biocatalytic approach for producing antibacterial compounds effective against Mycobacterium tuberculosis (TB)	Applied microbiology and biotechnology
21390239	20110303	Identification of potential sites for tryptophan oxidation in recombinant antibodies using tert-butylhydroperoxide and quantitative LC-MS	PloS one
21522798	20101204	Spiro-[indene-1,1'-benzo[e]indolin]-2'-one	Acta crystallographica. Section E, Structure reports online
19839618	20091203	A theoretical study of the decomposition mechanisms in substituted o-nitrotoluenes	The journal of physical chemistry. A
19811913	20091115	Anthranilic sulfonamide CCK1/CCK2 dual receptor antagonists I: discovery of CCKR1 selectivity in a previously CCKR2-selective lead series	Bioorganic & medicinal chemistry letters

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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:	105
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	119.037113783
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	119.037113783
Rotatable Bond Count:	0
Topological Polar Surface Area:	26
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5