7-Fluoro-2H-1,4-benzoxazin-3(4H)-one - CAS 103361-99-5

Catalog:	BB001093
Product Name:	7-Fluoro-2H-1,4-benzoxazin-3(4H)-one
CAS:	103361-99-5
Synonyms:	7-fluoro-4H-1,4-benzoxazin-3-one; 7-fluoro-4H-1,4-benzoxazin-3-one

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Computed Properties

IUPAC Name:	7-fluoro-4H-1,4-benzoxazin-3-one
Description:	7-Fluoro-2H-1,4-benzoxazin-3(4H)-one (CAS# 103361-99-5) is a useful research chemical.
Molecular Weight:	167.14
Molecular Formula:	C8H6FNO2
Canonical SMILES:	C1C(=O)NC2=C(O1)C=C(C=C2)F
InChI:	InChI=1S/C8H6FNO2/c9-5-1-2-6-7(3-5)12-4-8(11)10-6/h1-3H,4H2,(H,10,11)
InChI Key:	TXRXHEOGQVPEBT-UHFFFAOYSA-N
Boiling Point:	327.871 °C at 760 mmHg
Melting Point:	203-205 °C
Purity:	95 %
Density:	1.347 g/cm³
MDL:	MFCD07774200
LogP:	1.29460

Publication Number	Title	Priority Date
CN-113045557-A	Production process of flumioxazin herbicide	20210308
US-2021317079-A1	Tetralin and tetrahydroquinoline compounds as inhibitors of hif-2alpha	20200319
WO-2021047677-A1	Irak4 kinase inhibitor and preparation thereof and use thereof	20190912
WO-2019223732-A1	P-phenylenediamine derivative as potassium channel regulator and preparation method and medical application thereof	20180522
AU-2019272383-A1	P-Phenylenediamine Derivative As Potassium Channel Regulator And Preparation Method And Medical Application Thereof	20180522

PMID	Publication Date	Title	Journal
17177510	20061227	New herbicide models from benzoxazinones: aromatic ring functionalization effects	Journal of agricultural and food chemistry

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Related Functional Groups

Benzoxazines

[1365965-22-5]
2,2-Dimethyl-5-nitro-2H-benzo[b][1,4]oxazin-3(4H)-one
[1780189-83-4]
5-Methoxy-1H-benzo[d][1,3]oxazin-2(4H)-one
[1781048-50-7]
8-Methoxy-1H-benzo[d][1,3]oxazin-2(4H)-one
[928256-37-5]
6-Methoxy-2,2-dimethyl-2H-benzo[b][1,4]oxazin-3(4H)-one
[688363-48-6]
8-Bromo-2H-1,4-benzoxazin-3(4H)-one
[105679-37-6]
6,8-Dichloro-3,4-dihydro-2H-1,4-benzoxazine

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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:	167.03825660
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	167.03825660
Rotatable Bond Count:	0
Topological Polar Surface Area:	38.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1