7-Chlorobenzoxazol-2(3H)-one - CAS 83972-30-9

Catalog:	BB037117
Product Name:	7-Chlorobenzoxazol-2(3H)-one
CAS:	83972-30-9
Synonyms:	7-chloro-3H-1,3-benzoxazol-2-one; 7-chloro-3H-1,3-benzoxazol-2-one

Technical Data

Patents

Computed Properties

IUPAC Name:	7-chloro-3H-1,3-benzoxazol-2-one
Description:	7-Chlorobenzoxazol-2(3H)-one (CAS# 83972-30-9 ) is a useful research chemical.
Molecular Weight:	169.57
Molecular Formula:	C7H4ClNO2
Canonical SMILES:	C1=CC2=C(C(=C1)Cl)OC(=O)N2
InChI:	InChI=1S/C7H4ClNO2/c8-4-2-1-3-5-6(4)11-7(10)9-5/h1-3H,(H,9,10)
InChI Key:	PKVSEKISDMDLAQ-UHFFFAOYSA-N
LogP:	1.77450

Publication Number	Title	Priority Date
US-2015057238-A1	Kynurenine-3-monooxygenase inhibitors, pharmaceutical compositions, and methods of use thereof	20120405
WO-2013151707-A1	Kynurenine-3-monooxygenase inhibitors, pharmaceutical compositions, and methods of use thereof	20120405
CN-106518845-B	Kynurenin -3- monooxygenase inhibitor, pharmaceutical composition and its application method	20110830
EP-2750677-A1	Kynurenine-3-monooxygenase inhibitors, pharmaceutical compositions, and methods of use thereof	20110830
WO-2013033085-A1	Kynurenine-3-monooxygenase inhibitors, pharmaceutical compositions, and methods of use thereof	20110830

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Complexity:	185
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	168.9930561
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	168.9930561
Rotatable Bond Count:	0
Topological Polar Surface Area:	38.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8