2-Bromo-5-phenyloxazole - CAS 129053-70-9

Catalog:	BB006967
Product Name:	2-Bromo-5-phenyloxazole
CAS:	129053-70-9
Synonyms:	2-bromo-5-phenyloxazole; 2-bromo-5-phenyl-1,3-oxazole

Technical Data

Patents

Computed Properties

IUPAC Name:	2-bromo-5-phenyl-1,3-oxazole
Description:	2-Bromo-5-phenyloxazole (CAS# 129053-70-9) is a useful research chemical.
Molecular Weight:	224.05
Molecular Formula:	C9H6BrNO
Canonical SMILES:	C1=CC=C(C=C1)C2=CN=C(O2)Br
InChI:	InChI=1S/C9H6BrNO/c10-9-11-6-8(12-9)7-4-2-1-3-5-7/h1-6H
InChI Key:	KJUQKWSZCIOQKY-UHFFFAOYSA-N
Storage:	Inert atmosphere, Store in freezer, under -20 °C
MDL:	MFCD12828094
LogP:	3.10410

Publication Number	Title	Priority Date
WO-2020243519-A1	Compounds and compositions for treating conditions associated with sting activity	20190529
CN-111808105-A	Pyrimidone pyrazole compound containing polycyclic group, preparation method and application thereof	20190411
US-2020308163-A1	Compounds and compositions as modulators of tlr signaling	20190326
WO-2020198368-A1	Compounds and compositions as modulators of tlr signaling	20190326
KR-20200107339-A	Organic compound and organic electroluminescent device comprising the same	20190307

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Complexity:	148
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	222.96328
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	222.96328
Rotatable Bond Count:	1
Topological Polar Surface Area:	26
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3