3-Bromo-1,2-benzoxazole - CAS 1263178-34-2

Catalog:	BB006561
Product Name:	3-Bromo-1,2-benzoxazole
CAS:	1263178-34-2
Synonyms:	3-bromo-1,2-benzoxazole; 3-bromo-1,2-benzoxazole

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Computed Properties

IUPAC Name:	3-bromo-1,2-benzoxazole
Description:	3-Bromo-1,2-benzoxazole (CAS# 1263178-34-2) is a useful research chemical.
Molecular Weight:	198.02
Molecular Formula:	C7H4BrNO
Canonical SMILES:	C1=CC=C2C(=C1)C(=NO2)Br
InChI:	InChI=1S/C7H4BrNO/c8-7-5-3-1-2-4-6(5)10-9-7/h1-4H
InChI Key:	NCIYIIPYKCJIPS-UHFFFAOYSA-N
LogP:	2.59030

Publication Number	Title	Priority Date
US-2020039945-A1	Compounds	20180620
CN-106518841-A	Cyclohexane derivative or stereoisomer or salt and preparation and application thereof	20150915
AU-2014366940-A1	Fused heterocyclic compounds as ion channel modulators	20131220
AU-2014366940-B2	Fused heterocyclic compounds as ion channel modulators	20131220
CA-2934456-C	Fused heterocyclic compounds as ion channel modulators	20131220

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Related Functional Groups

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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+P312, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	131
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	196.94763
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	196.94763
Rotatable Bond Count:	0
Topological Polar Surface Area:	26 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7