6-Bromobenzoxazole - CAS 375369-14-5

Name: 6-Bromobenzoxazole
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB023330
Product Name:	6-Bromobenzoxazole
CAS:	375369-14-5
Synonyms:	6-bromo-1,3-benzoxazole; 6-bromo-1,3-benzoxazole

Technical Data

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Patents

Computed Properties

IUPAC Name:	6-bromo-1,3-benzoxazole
Description:	6-Bromobenzoxazole (CAS# 375369-14-5) is a useful research chemical.
Molecular Weight:	198.02
Molecular Formula:	C7H4BrNO
Canonical SMILES:	C1=CC2=C(C=C1Br)OC=N2
InChI:	InChI=1S/C7H4BrNO/c8-5-1-2-6-7(3-5)10-4-9-6/h1-4H
InChI Key:	YXVFVHLEIBLKCA-UHFFFAOYSA-N
Boiling Point:	251.2 °C at 760 mmHg
Density:	1.71 g/cm³
Appearance:	Off white crystalline powder
MDL:	MFCD03092891
LogP:	2.59030

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Related Functional Groups

Halides

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement:	P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
KR-20200128794-A	An electroluminescent compound and an electroluminescent device comprising the same	20190507
CN-111714628-A	Small molecule PD-1/PD-L1 inhibitor, pharmaceutical composition of small molecule PD-1/PD-L1 inhibitor and PD-L1 antibody and application of small molecule PD-1/PD-L1 inhibitor and pharmaceutical composition	20190322
WO-2020192570-A1	Small-molecule inhibitor of pd-1/pd-l1, pharmaceutical composition thereof with pd-l1 antibody, and application of same	20190322
KR-20200100972-A	An electroluminescent compound and an electroluminescent device comprising the same	20190219
US-2020032401-A1	Ultraviolet-stabilized corrosion inhibitors	20180725

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
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3