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6-Bromo-1H-benzo[d][1,3]oxazin-2(4H)-one

6-Bromo-1H-benzo[d][1,3]oxazin-2(4H)-one - CAS 1017783-09-3

Catalog:	BB000657
Product Name:	6-Bromo-1H-benzo[d][1,3]oxazin-2(4H)-one
CAS:	1017783-09-3
Synonyms:	6-bromo-1,4-dihydro-3,1-benzoxazin-2-one; 6-bromo-1,4-dihydro-3,1-benzoxazin-2-one

Technical Data

Patents

Computed Properties

IUPAC Name:	6-bromo-1,4-dihydro-3,1-benzoxazin-2-one
Description:	6-Bromo-1H-benzo[d][1,3]oxazin-2(4H)-one (CAS# 1017783-09-3) is a useful research chemical.
Molecular Weight:	228.04
Molecular Formula:	C8H6BrNO2
Canonical SMILES:	C1C2=C(C=CC(=C2)Br)NC(=O)O1
InChI:	InChI=1S/C8H6BrNO2/c9-6-1-2-7-5(3-6)4-12-8(11)10-7/h1-3H,4H2,(H,10,11)
InChI Key:	SSTOTANBGDRSRF-UHFFFAOYSA-N
Boiling Point:	260.1 °C at 760 mmHg
Density:	1.676 g/cm³
Storage:	Sealed in dry, Room Temperature
MDL:	MFCD09972273
LogP:	2.64920

Publication Number	Title	Priority Date
CN-112300211-A	Compound as thyroid hormone beta receptor agonist and application thereof	20190726
WO-2018017490-A1	Carbamate quinabactin	20160718
AU-2017294391-A1	Plant growth regulator compounds	20160705
CA-3029850-A1	Plant growth regulator compounds	20160705
EP-3481202-A1	Plant growth regulator compounds	20160705

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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
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8