7-Bromo-3,4-dihydroquinolin-2(1H)-one - CAS 14548-51-7

Catalog:	BB009963
Product Name:	7-Bromo-3,4-dihydroquinolin-2(1H)-one
CAS:	14548-51-7
Synonyms:	7-bromo-3,4-dihydro-1H-quinolin-2-one; 7-bromo-3,4-dihydro-1H-quinolin-2-one

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Computed Properties

IUPAC Name:	7-bromo-3,4-dihydro-1H-quinolin-2-one
Description:	7-Bromo-3,4-dihydroquinolin-2(1H)-one (CAS# 14548-51-7) is a useful research chemical.
Molecular Weight:	226.07
Molecular Formula:	C9H8BrNO
Canonical SMILES:	C1CC(=O)NC2=C1C=CC(=C2)Br
InChI:	InChI=1S/C9H8BrNO/c10-7-3-1-6-2-4-9(12)11-8(6)5-7/h1,3,5H,2,4H2,(H,11,12)
InChI Key:	JEZXCJXCRWALSO-UHFFFAOYSA-N
Boiling Point:	359.1 °C at 760 mmHg
Density:	1.559 g/cm³
LogP:	2.41890

Publication Number	Title	Priority Date
WO-2021151062-A1	Heterocyclic compounds and uses thereof	20200124
WO-2020264499-A1	Irak degraders and uses thereof	20190628
US-2021002229-A1	Compounds for treatment of pd-l1 diseases	20190620
WO-2020257549-A2	Compounds for treatment of pd-l1 diseases	20190620
TW-202029963-A	1,2,3,4-tetrahydroquinoline derivatives and preparation method and application thereof	20190123

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[13676-02-3]
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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:	195
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	224.97893
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	224.97893
Rotatable Bond Count:	0
Topological Polar Surface Area:	29.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8