7-Bromo-3,4-dihydro-2H-benzo[b][1,4]oxazine - CAS 105679-22-9

Catalog:	BB001691
Product Name:	7-Bromo-3,4-dihydro-2H-benzo[b][1,4]oxazine
CAS:	105679-22-9
Synonyms:	7-bromo-3,4-dihydro-2H-1,4-benzoxazine; 7-bromo-3,4-dihydro-2H-1,4-benzoxazine

Technical Data

Patents

Computed Properties

IUPAC Name:	7-bromo-3,4-dihydro-2H-1,4-benzoxazine
Description:	7-Bromo-3,4-dihydro-2H-benzo[b][1,4]oxazine (CAS# 105679-22-9) is a useful research chemical.
Molecular Weight:	214.06
Molecular Formula:	C8H8BrNO
Canonical SMILES:	C1COC2=C(N1)C=CC(=C2)Br
InChI:	InChI=1S/C8H8BrNO/c9-6-1-2-7-8(5-6)11-4-3-10-7/h1-2,5,10H,3-4H2
InChI Key:	JLZUUGCTPRPFKZ-UHFFFAOYSA-N
Boiling Point:	300.4 °C at 760 mmHg
Purity:	95 %
Density:	1.534 g/cm³
Appearance:	Liquid
MDL:	MFCD09056750
LogP:	2.39140

Publication Number	Title	Priority Date
CN-113121463-A	Amide compound with bicyclic structure and application thereof in medicines	20191231
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WO-2020259668-A1	Tricyclic compound, preparation method therefor and use thereof	20190628

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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
[1780189-83-4]
5-Methoxy-1H-benzo[d][1,3]oxazin-2(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
[627870-58-0]
6-Ethynyl-2H-benzo[b][1,4]oxazin-3(4H)-one

Complexity:	142
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	212.97893
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	212.97893
Rotatable Bond Count:	0
Topological Polar Surface Area:	21.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3