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7-Nitro-4,5-dihydro-1H-benzo[b]azepin-2(3H)-one

7-Nitro-4,5-dihydro-1H-benzo[b]azepin-2(3H)-one - CAS 22246-45-3

Catalog:	BB017474
Product Name:	7-Nitro-4,5-dihydro-1H-benzo[b]azepin-2(3H)-one
CAS:	22246-45-3
Synonyms:	7-nitro-1,3,4,5-tetrahydro-1-benzazepin-2-one; 7-nitro-1,3,4,5-tetrahydro-1-benzazepin-2-one

Technical Data

Patents

Computed Properties

IUPAC Name:	7-nitro-1,3,4,5-tetrahydro-1-benzazepin-2-one
Description:	7-Nitro-4,5-dihydro-1H-benzo[b]azepin-2(3H)-one (CAS# 22246-45-3) is a useful research chemical compound.
Molecular Weight:	206.20
Molecular Formula:	C10H10N2O3
Canonical SMILES:	C1CC2=C(C=CC(=C2)[N+](=O)[O-])NC(=O)C1
InChI:	InChI=1S/C10H10N2O3/c13-10-3-1-2-7-6-8(12(14)15)4-5-9(7)11-10/h4-6H,1-3H2,(H,11,13)
InChI Key:	ASVGSXZZZWXPRE-UHFFFAOYSA-N
Boiling Point:	425.6 °C at 760 mmHg
Density:	1.301 g/cm³
LogP:	2.53080

Publication Number	Title	Priority Date
CN-112010808-A	tetrahydro-1H-benzazepine compounds as potassium channel modulators, and preparation and application thereof	20190531
WO-2020238917-A1	Tetrahydro-1h-benzazepine compound as potassium channel modulator, preparation method and use thereof	20190531
AU-2013244992-A1	Novel thienopyrimidine derivatives, processes for the preparation thereof and therapeutic uses thereof	20120403
AU-2013244992-B2	Novel thienopyrimidine derivatives, processes for the preparation thereof and therapeutic uses thereof	20120403
CA-2868685-A1	Thienopyrimidine derivatives, processes for the preparation thereof and therapeutic uses thereof	20120403

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Complexity:	274
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	206.06914219
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	206.06914219
Rotatable Bond Count:	0
Topological Polar Surface Area:	74.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3