5-Bromo-2-benzoxazolinone - CAS 14733-73-4

Catalog:	BB010184
Product Name:	5-Bromo-2-benzoxazolinone
CAS:	14733-73-4
Synonyms:	5-bromo-3H-1,3-benzoxazol-2-one

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	5-bromo-3H-1,3-benzoxazol-2-one
Description:	5-Bromo-2-benzoxazolinone (CAS# 14733-73-4) is a useful research chemical.
Molecular Weight:	214.02
Molecular Formula:	C7H4BrNO2
Canonical SMILES:	C1=CC2=C(C=C1Br)NC(=O)O2
InChI:	InChI=1S/C7H4BrNO2/c8-4-1-2-6-5(3-4)9-7(10)11-6/h1-3H,(H,9,10)
InChI Key:	DMHTZWJRUUOALC-UHFFFAOYSA-N
Solubility:	Other solvents(Soluble) : Pyridine
Appearance:	White to yellow powder
MDL:	MFCD01664246
LogP:	1.88360

Publication Number	Title	Priority Date
WO-2021008512-A1	Compound as nmt inhibitor and use thereof	20190718
CN-110878055-A	Method for preparing carbonyl heterocyclic compound	20180906
CN-110878055-B	Method for preparing carbonyl heterocyclic compound	20180906
AU-2018389145-A1	Exo-aza spiro inhibitors of menin-MLL interaction	20171220
CA-3083624-A1	Exo-aza spiro inhibitors of menin-mll interaction	20171220

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Related Functional Groups

Benzoxazole/Benzothiazole

[101253-50-3]
5-Chloro-2-methylbenzo[d]thiazol-6-amine
[1215553-99-3]
4-(1,3-Benzothiazol-2-yl)-2-methylaniline hydrochloride
[1035840-69-7]
6-Chloro-5-methyl-2-piperidin-4-yl-1,3-benzoxazole
[19654-14-9]
2-(3-Bromophenyl)benzothiazole
[105314-08-7]
2-Aminobenzothiazole-5-carbonitrile
[154327-24-9]
4-Fluoro-2(3H)-benzothiazolethione

Oxazolines/Oxazolidines

[81135-31-1]
(4S,5R,1'R,3'E)-2,2,3-trimethyl-5-(1'-methyl-3'-pentenyl)-4-oxazolidinecarboxylic acid
[497-25-6]
2-Oxazolidinone
[158722-22-6]
5-Oxazolecarboxylic acid, 4,5-dihydro-2,4-diphenyl-, (4S,5R)-
[19932-85-5]
6-Bromo-2-benzoxazolinone
[78213-03-3]
6-Hydroxy-2-benzoxazolinone
[2346-26-1]
2,4-Oxazolidinedione

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