2-Amino-6-chlorobenzoxazole - CAS 52112-68-2

Catalog:	BB027714
Product Name:	2-Amino-6-chlorobenzoxazole
CAS:	52112-68-2
Synonyms:	6-chloro-1,3-benzoxazol-2-amine; 6-chloro-1,3-benzoxazol-2-amine

Technical Data

Patents

Computed Properties

IUPAC Name:	6-chloro-1,3-benzoxazol-2-amine
Description:	2-Amino-6-chlorobenzoxazole (CAS# 52112-68-2) is a useful research chemical.
Molecular Weight:	168.58
Molecular Formula:	C7H5ClN2O
Canonical SMILES:	C1=CC2=C(C=C1Cl)OC(=N2)N
InChI:	InChI=1S/C7H5ClN2O/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H,(H2,9,10)
InChI Key:	QDMXVLGVKMTTIT-UHFFFAOYSA-N
Boiling Point:	316.8 °C at 760 mmHg
Density:	1.481 g/cm³
MDL:	MFCD01664218
LogP:	2.64460

Publication Number	Title	Priority Date
WO-2019233883-A1	Tetrahydrobenzofuro[2,3-c]pyridine and beta-carboline compounds for the treatment, alleviation or prevention of disorders associated with tau aggregates	20180604
WO-2019134978-A1	1, 3, 4, 5-tetrahydro-2h-pyrido[4,3-b]indole derivatives for the treatment, alleviation or prevention of disorders associated with tau aggregates like alzheimer's disease	20180105
US-10202388-B2	Fused-ring compounds, pharmaceutical composition and uses thereof	20150216
US-2018022752-A1	Fused-ring compounds, pharmaceutical composition and uses thereof	20150216
WO-2016053855-A1	Sphingosine-1-phospate receptor modulators for treatment of cardiopulmonary disorders	20140929

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Complexity:	155
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	168.0090405
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	168.0090405
Rotatable Bond Count:	0
Topological Polar Surface Area:	52
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5