7-Fluoro-4-hydroxy-2-methylquinoline - CAS 18529-03-8

Catalog:	BB014214
Product Name:	7-Fluoro-4-hydroxy-2-methylquinoline
CAS:	18529-03-8
Synonyms:	7-fluoro-2-methyl-1H-quinolin-4-one

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	7-fluoro-2-methyl-1H-quinolin-4-one
Description:	7-Fluoro-4-hydroxy-2-methylquinoline (CAS# 18529-03-8) is a useful research chemical.
Molecular Weight:	177.18
Molecular Formula:	C10H8FNO
Canonical SMILES:	CC1=CC(=O)C2=C(N1)C=C(C=C2)F
InChI:	InChI=1S/C10H8FNO/c1-6-4-10(13)8-3-2-7(11)5-9(8)12-6/h2-5H,1H3,(H,12,13)
InChI Key:	DGZLIRLGDGAYDG-UHFFFAOYSA-N
Boiling Point:	271.975 °C at 760 mmHg
Density:	1.228 g/cm³
LogP:	2.38790

Publication Number	Title	Priority Date
AU-2008310898-A1	Antimalarial compounds with flexible side-chains	20071008
AU-2008310898-B2	Antimalarial compounds with flexible side-chains	20071008
CA-2700880-A1	Antimalarial compounds with flexible side-chains	20071008
CA-2700880-C	Antimalarial compounds with flexible side-chains	20071008
EP-2194985-A1	Antimalarial compounds with flexible side-chains	20071008

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Quinoline/Isoquinoline

[203506-30-3]
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[938459-19-9]
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[361982-79-8]
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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement:	P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501
Signal Word:	Danger

Complexity:	262
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	177.058992041
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	177.058992041
Rotatable Bond Count:	0
Topological Polar Surface Area:	29.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2