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6-Bromo-1,2,3,4-tetrahydroisoquinoline-1,3-dione

6-Bromo-1,2,3,4-tetrahydroisoquinoline-1,3-dione - CAS 501130-49-0

Catalog:	BB026925
Product Name:	6-Bromo-1,2,3,4-tetrahydroisoquinoline-1,3-dione
CAS:	501130-49-0
Synonyms:	6-bromo-4H-isoquinoline-1,3-dione; 6-bromo-4H-isoquinoline-1,3-dione

Technical Data

Patents

Computed Properties

IUPAC Name:	6-bromo-4H-isoquinoline-1,3-dione
Description:	6-Bromo-1,2,3,4-tetrahydroisoquinoline-1,3-dione (CAS# 501130-49-0) is a useful research chemical.
Molecular Weight:	240.05
Molecular Formula:	C9H6BrNO2
Canonical SMILES:	C1C2=C(C=CC(=C2)Br)C(=O)NC1=O
InChI:	InChI=1S/C9H6BrNO2/c10-6-1-2-7-5(3-6)4-8(12)11-9(7)13/h1-3H,4H2,(H,11,12,13)
InChI Key:	HKYFVARBWSUEAJ-UHFFFAOYSA-N
MDL:	MFCD12755363
LogP:	1.53750

Publication Number	Title	Priority Date
CN-108929270-B	Synthesis of drug intermediate disubstituted nitrogen heterocyclic ring-containing amine compound	20180815
US-2016243149-A1	Novel anti-viral therapeutic	20120420
US-2018037585-A1	Metabotrophic glutamate receptor 5 modulators and methods use thereof	20110608
JP-2010514718-A	Cycloalkylamine substituted isoquinolone and isoquinolinone derivatives	20061227
JP-5318778-B2	Cycloalkylamine substituted isoquinolone and isoquinolinone derivatives	20061227

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Complexity:	254
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	238.95819
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	238.95819
Rotatable Bond Count:	0
Topological Polar Surface Area:	46.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3