7-Bromo-4-hydroxyquinoline - CAS 82121-06-0

Catalog:	BB036759
Product Name:	7-Bromo-4-hydroxyquinoline
CAS:	82121-06-0
Synonyms:	7-bromo-1H-quinolin-4-one

Technical Data

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Computed Properties

IUPAC Name:	7-bromo-1H-quinolin-4-one
Description:	7-Bromoquinolin-4-ol acts as a reagent in the synthesis of quinoline Schiff bases which are used pharmacologically for antibacterial activity.
Molecular Weight:	224.05
Molecular Formula:	C9H6BrNO
Canonical SMILES:	C1=CC2=C(C=C1Br)NC=CC2=O
InChI:	InChI=1S/C9H6BrNO/c10-6-1-2-7-8(5-6)11-4-3-9(7)12/h1-5H,(H,11,12)
InChI Key:	GGCBEWNXEGDQAP-UHFFFAOYSA-N
Boiling Point:	370.732 ℃ at 760 mmHg
Purity:	98 %
Density:	1.705 g/cm³
LogP:	2.70290

Publication Number	Title	Priority Date
WO-2021126728-A1	Prmt5 inhibitors	20191217
WO-2021116446-A1	Functionalized heterocyclic compounds as modulators of stimulator of interferon genes (sting)	20191211
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US-2021147386-A1	Pyrrolidine and piperidine compounds	20191106
WO-2021090245-A1	Pyrrolidine and piperidine compounds	20191106

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P280, P301+P312, P305+P351+P338, P310, P330, and P501
Signal Word:	Danger

Complexity:	227
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	222.96328
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	222.96328
Rotatable Bond Count:	0
Topological Polar Surface Area:	29.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3