5-Fluoro-3,4-dihydronaphthalen-1(2H)-one - CAS 93742-85-9

Name: 5-Fluoro-3,4-dihydronaphthalen-1(2H)-one
Brand: BOC Sciences
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Catalog:	BB041056
Product Name:	5-Fluoro-3,4-dihydronaphthalen-1(2H)-one
CAS:	93742-85-9
Synonyms:	5-fluoro-3,4-dihydro-2H-naphthalen-1-one; 5-fluoro-3,4-dihydro-2H-naphthalen-1-one

Technical Data

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Computed Properties

IUPAC Name:	5-fluoro-3,4-dihydro-2H-naphthalen-1-one
Description:	5-Fluoro-3,4-dihydronaphthalen-1(2H)-one (CAS# 93742-85-9) is a useful research chemical compound.
Molecular Weight:	164.18
Molecular Formula:	C10H9FO
Canonical SMILES:	C1CC2=C(C=CC=C2F)C(=O)C1
InChI:	InChI=1S/C10H9FO/c11-9-5-1-4-8-7(9)3-2-6-10(8)12/h1,4-5H,2-3,6H2
InChI Key:	ALVLPJZOYNSRRX-UHFFFAOYSA-N
Boiling Point:	265.6 °C at 760 mmHg
Density:	1.198 g/cm³
Storage:	Sealed in dry, 2-8 °C
LogP:	2.34470

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]C23H22N2O5
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[1431966-64-1]C10H17ClN2O2S
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride
[108397-75-7]C8H10N2O2
2,4,6-Trimethylpyrimidine-5-carboxylic Acid
[69616-74-6]C18H18O6
2',4-Dihydroxy-3',4',6'-trimethoxychalcone
[113366-46-4]C7H9NO2S
2-Ethyl-4-methyl-1,3-thiazole-5-carboxylic acid
[871126-22-6]C7H6BFO3
2-Fluoro-4-formylphenylboronic acid

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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

Publication Number	Title	Priority Date
WO-2020236940-A1	Kras g12c inhibitors and uses thereof	20190520
US-2020306243-A1	Compounds and conjugates thereof	20190329
WO-2020200880-A1	Compounds and conjugates thereof	20190329
TW-202104235-A	Compounds and conjugates thereof	20190329
US-2021322401-A1	Compounds and conjugates thereof	20190329

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:	2.6