5-Bromo-2-chlorobenzoxazole - CAS 1030377-54-8

Catalog:	BB000996
Product Name:	5-Bromo-2-chlorobenzoxazole
CAS:	1030377-54-8
Synonyms:	5-bromo-2-chloro-1,3-benzoxazole; 5-bromo-2-chloro-1,3-benzoxazole

Technical Data

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Computed Properties

IUPAC Name:	5-bromo-2-chloro-1,3-benzoxazole
Description:	5-Bromo-2-chlorobenzoxazole (CAS# 1030377-54-8) is a useful research chemical.
Molecular Weight:	232.46
Molecular Formula:	C7H3BrClNO
Canonical SMILES:	C1=CC2=C(C=C1Br)N=C(O2)Cl
InChI:	InChI=1S/C7H3BrClNO/c8-4-1-2-6-5(3-4)10-7(9)11-6/h1-3H
InChI Key:	YAAOMYRRXGGRAZ-UHFFFAOYSA-N
LogP:	3.24370

Publication Number	Title	Priority Date
TW-202017923-A	Novel compounds for the treatment, alleviation or prevention of disorders associated with tau aggregates	20180604
WO-2019198692-A1	Fused cyclic urea derivatives as crhr2 antagonist	20180409
KR-20200135834-A	Condensed cyclic urea derivatives as CRHR2 antagonists	20180409
BR-112020020708-A2	CYCLIC UREA FUSED DERIVATIVES AS CRHR2 ANTAGONIST	20180409
EP-3774739-A1	Fused cyclic urea derivatives as crhr2 antagonist	20180409

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GHS Hazard Statement:	H302 (100%): 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:	157
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	230.90865
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	230.90865
Rotatable Bond Count:	0
Topological Polar Surface Area:	26 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.8