7-Bromo-2H-benzo[b][1,4]oxazin-3(4H)-one - CAS 321436-06-0

Catalog:	BB021201
Product Name:	7-Bromo-2H-benzo[b][1,4]oxazin-3(4H)-one
CAS:	321436-06-0
Synonyms:	7-bromo-4H-1,4-benzoxazin-3-one; 7-bromo-4H-1,4-benzoxazin-3-one

Technical Data

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Computed Properties

IUPAC Name:	7-bromo-4H-1,4-benzoxazin-3-one
Description:	7-Bromo-2H-benzo[b][1,4]oxazin-3(4H)-one (CAS# 321436-06-0) is a useful research chemical.
Molecular Weight:	228.04
Molecular Formula:	C8H6BrNO2
Canonical SMILES:	C1C(=O)NC2=C(O1)C=C(C=C2)Br
InChI:	InChI=1S/C8H6BrNO2/c9-5-1-2-6-7(3-5)12-4-8(11)10-6/h1-3H,4H2,(H,10,11)
InChI Key:	ZAXUQDMKVBOVCR-UHFFFAOYSA-N
Boiling Point:	381.471 °C at 760 mmHg
Density:	1.677 g/cm³
LogP:	1.91800

Publication Number	Title	Priority Date
CN-112300211-A	Compound as thyroid hormone beta receptor agonist and application thereof	20190726
WO-2020259668-A1	Tricyclic compound, preparation method therefor and use thereof	20190628
EP-3786166-A1	2-aminopyrimidine derivative, preparation method and use thereof	20180426
WO-2019209948-A1	Compounds and uses thereof	20180425
WO-2019209948-A9	Compounds and uses thereof	20180425

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Related Functional Groups

Benzoxazines

[10128-55-9]
N-[2-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]-2-naphthalenesulfonamide
[1365965-22-5]
2,2-Dimethyl-5-nitro-2H-benzo[b][1,4]oxazin-3(4H)-one
[939759-05-4]
8-Chloro-3,4-dihydro-2H-1,4-benzoxazine
[103361-99-5]
7-Fluoro-2H-1,4-benzoxazin-3(4H)-one
[107624-49-7]
3-Phenyl-3,4-dihydro-2H-1,4-benzoxazin-2-one
[1780907-91-6]
5-Chloro-1H-benzo[d][1,3]oxazin-2(4H)-one

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

Complexity:	198
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	226.95819
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	226.95819
Rotatable Bond Count:	0
Topological Polar Surface Area:	38.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6