6-Bromo-2-benzoxazolinone - CAS 19932-85-5

Catalog:	BB015394
Product Name:	6-Bromo-2-benzoxazolinone
CAS:	19932-85-5
Synonyms:	6-bromo-3H-1,3-benzoxazol-2-one

Technical Data

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Computed Properties

IUPAC Name:	6-bromo-3H-1,3-benzoxazol-2-one
Description:	6-Bromo-2-benzoxazolinone (CAS# 19932-85-5) is a useful research chemical.
Molecular Weight:	214.02
Molecular Formula:	C7H4BrNO2
Canonical SMILES:	C1=CC2=C(C=C1Br)OC(=O)N2
InChI:	InChI=1S/C7H4BrNO2/c8-4-1-2-5-6(3-4)11-7(10)9-5/h1-3H,(H,9,10)
InChI Key:	DDNKJFBQMQOIKI-UHFFFAOYSA-N
Density:	1.809 g/cm³
Appearance:	White to tan solid, powder, crystal, crystalline solid and/or chunks
MDL:	MFCD00694727
LogP:	1.88360

Publication Number	Title	Priority Date
WO-2021188948-A1	Mdm2 degraders and uses thereof	20200319
WO-2021127586-A1	Protein tyrosine phosphatase degraders and methods of use thereof	20191220
WO-2021055627-A1	Substituted n-heterocyclic carboxamides as acid ceramidase inhibitors and their use as medicaments	20190917
KR-20200138086-A	1,3,4-Oxadiazole Derivative Compounds as Histone Deacetylase 6 Inhibitor, and the Pharmaceutical Composition Comprising the same	20190531
WO-2020240492-A1	1,3,4-oxadiazole derivative compounds as histone deacetylase 6 inhibitor, and the pharmaceutical composition comprising the same	20190531

PMID	Publication Date	Title	Journal
17442117	20070418	TagSmart: analysis and visualization for yeast mutant fitness data measured by tag microarrays	BMC bioinformatics
15936280	20050607	A small-molecule inhibitor of Mps1 blocks the spindle-checkpoint response to a lack of tension on mitotic chromosomes	Current biology : CB

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Related Functional Groups

Benzoxazole/Benzothiazole

[1326714-98-0]
4-Bromobenzo[d]isothiazole
[70785-26-1]
N-(4-methylphenyl)benzothiazol-2-amine
[55202-46-5]
5,7-Dichloro-2-methylbenzoxazole
[6481-01-2]
2,5,7-Trichlorobenzoxazole
[139549-26-1]
2-(Chloromethyl)-7-methylbenzoxazole
[858635-83-3]
7-(2-bromoacetyl)-4-hydroxy-2,3-dihydro-1,3-benzothiazol-2-one

Oxazolines/Oxazolidines

[22876-17-1]
6-Amino-2-benzoxazolinone
[2923-94-6]
6-Fluoro-2(3H)-benzoxazolone
[68641-49-6]
N,N-Bis(2-oxo-3-oxazolidinyl)phosphinic chloride
[19836-78-3]
3-Methyl-2-oxazolidinone
[158822-84-5]
6-Benzyloxy-2-benzoxazolinone
[1120-64-5]
2-Methyl-2-oxazoline

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501
Signal Word:	Warning

Complexity:	185
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	212.94254
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	212.94254
Rotatable Bond Count:	0
Topological Polar Surface Area:	38.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9