5-Bromo-1,2,3,4-tetrahydroquinolin-2-one - CAS 880094-83-7

Catalog:	BB038714
Product Name:	5-Bromo-1,2,3,4-tetrahydroquinolin-2-one
CAS:	880094-83-7
Synonyms:	5-bromo-3,4-dihydro-1H-quinolin-2-one; 5-bromo-3,4-dihydro-1H-quinolin-2-one

Technical Data

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Computed Properties

IUPAC Name:	5-bromo-3,4-dihydro-1H-quinolin-2-one
Description:	5-Bromo-1,2,3,4-tetrahydroquinolin-2-one (CAS# 880094-83-7) 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/c10-7-2-1-3-8-6(7)4-5-9(12)11-8/h1-3H,4-5H2,(H,11,12)
InChI Key:	JGPDEKZRPAVYJA-UHFFFAOYSA-N
LogP:	2.41890

Publication Number	Title	Priority Date
WO-2021144439-A1	Quinoxaline derivatives	20200117
CN-112010859-A	Fused ring compound, preparation method and application thereof	20190530
WO-2020239073-A1	Fused ring compound, preparation method therefor and use thereof	20190530
US-2020206216-A1	Inhibitors of fibroblast activation protein	20181221
WO-2020132661-A2	Inhibitors of fibroblast activation protein	20181221

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, 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
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8