2-Amino-5-chlorobenzoxazole - CAS 61-80-3

Catalog:	BB031263
Product Name:	2-Amino-5-chlorobenzoxazole
CAS:	61-80-3
Synonyms:	5-chloro-1,3-benzoxazol-2-amine

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Computed Properties

IUPAC Name:	5-chloro-1,3-benzoxazol-2-amine
Description:	2-Amino-5-chlorobenzoxazole (CAS# 61-80-3) is a useful research chemical compound.
Molecular Weight:	168.58
Molecular Formula:	C7H5ClN2O
Canonical SMILES:	C1=CC2=C(C=C1Cl)N=C(O2)N
InChI:	InChI=1S/C7H5ClN2O/c8-4-1-2-6-5(3-4)10-7(9)11-6/h1-3H,(H2,9,10)
InChI Key:	YGCODSQDUUUKIV-UHFFFAOYSA-N
Boiling Point:	316.8 °C at 760 mmHg
Density:	1.481 g/cm³
MDL:	MFCD00005770
LogP:	2.64460

Publication Number	Title	Priority Date
CN-111972424-A	Sweet cherry branching agent and preparation method and application thereof	20200818
CN-111972424-B	Sweet cherry branching agent and preparation method and application thereof	20200818
WO-2021186250-A2	Methods of treating viral infections and health consequences	20200315
CN-111010627-A	Route distribution method and device applied to mixed grid optical network	20191125
EP-3791873-A1	Methods of treatment and/or prevention of disorders and symptoms related to bkca and/or sk channelophathies	20190916

PMID	Publication Date	Title	Journal
25623066	20150320	Functional coupling of ATP-binding cassette transporter Abcb6 to cytochrome P450 expression and activity in liver	The Journal of biological chemistry
23571415	20130601	Structure-based identification of OATP1B1/3 inhibitors	Molecular pharmacology
22488010	20121001	Neonatal activation of the nuclear receptor CAR results in epigenetic memory and permanent change of drug metabolism in mouse liver	Hepatology (Baltimore, Md.)
21827731	20120101	SRC-3 is required for CAR-regulated hepatocyte proliferation and drug metabolism	Journal of hepatology
22446863	20120101	Effect of intermittent hypobaric hypoxia on efficacy & clearance of drugs	The Indian journal of medical research

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GHS Hazard Statement:	H302 (99.22%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

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 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5