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6-Fluoro-1,2,3,4-tetrahydronaphthalen-1-one

6-Fluoro-1,2,3,4-tetrahydronaphthalen-1-one - CAS 703-67-3

Catalog:	BB034139
Product Name:	6-Fluoro-1,2,3,4-tetrahydronaphthalen-1-one
CAS:	703-67-3
Synonyms:	6-fluoro-3,4-dihydro-2H-naphthalen-1-one; 6-fluoro-3,4-dihydro-2H-naphthalen-1-one

Technical Data

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Computed Properties

IUPAC Name:	6-fluoro-3,4-dihydro-2H-naphthalen-1-one
Description:	6-Fluoro-1,2,3,4-tetrahydronaphthalen-1-one (CAS# 703-67-3) is a useful research chemical.
Molecular Weight:	164.18
Molecular Formula:	C10H9FO
Canonical SMILES:	C1CC2=C(C=CC(=C2)F)C(=O)C1
InChI:	InChI=1S/C10H9FO/c11-8-4-5-9-7(6-8)2-1-3-10(9)12/h4-6H,1-3H2
InChI Key:	NJYZZEHPEKDFEK-UHFFFAOYSA-N
Boiling Point:	269.514 °C at 760 mmHg
Density:	1.199 g/cm³
MDL:	MFCD09031370
LogP:	2.34470

Publication Number	Title	Priority Date
WO-2021097139-A1	Chiral synthesis of a tertiary alcohol	20191115
WO-2021009026-A1	Methyl 2-[(4-methoxyimino-tetralin-6-yl]prop-2-enoate derivatives, chromane, isochromane, 6,7,8,9-tetrahydrobenzo[7]annulene, 1h-isobenzofurane and indane analogues thereof, and similar compounds, as agrochemical fungicides	20190712
WO-2020252414-A1	Naphthoquinone derivatives for treatment of oxidative stress disorders	20190613
US-2021053917-A1	Novel thyromimetics	20190301
WO-2020180624-A1	Novel thyromimetics	20190301

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	190
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	164.063743068
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	164.063743068
Rotatable Bond Count:	0
Topological Polar Surface Area:	17.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1