3-(2-Fluorophenyl)cyclobutanone - CAS 1080636-31-2

Catalog:	BB002164
Product Name:	3-(2-Fluorophenyl)cyclobutanone
CAS:	1080636-31-2
Synonyms:	3-(2-fluorophenyl)-1-cyclobutanone; 3-(2-fluorophenyl)cyclobutan-1-one

Technical Data

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Computed Properties

IUPAC Name:	3-(2-fluorophenyl)cyclobutan-1-one
Description:	3-(2-Fluorophenyl)cyclobutanone (CAS# 1080636-31-2) is a useful research chemical.
Molecular Weight:	164.18
Molecular Formula:	C10H9FO
Canonical SMILES:	C1C(CC1=O)C2=CC=CC=C2F
InChI:	InChI=1S/C10H9FO/c11-10-4-2-1-3-9(10)7-5-8(12)6-7/h1-4,7H,5-6H2
InChI Key:	ZNHOEHONJNYTDA-UHFFFAOYSA-N
MDL:	MFCD11848521
LogP:	2.27220

Publication Number	Title	Priority Date
AU-2008249745-A1	Substituted heterocyclic derivatives and compositions and their pharmaceutical use as antibacterials	20070509
AU-2008249745-B2	Substituted heterocyclic derivatives and compositions and their pharmaceutical use as antibacterials	20070509
CN-101679357-A	Substituted heterocyclic derivatives and their pharmaceutical use and compositions	20070509
EP-2155716-A2	Substituted heterocyclic derivatives and compositions and their pharmaceutical use as antibacterials	20070509
EP-2481735-A1	Substituted heterocyclic derivatives and compositions and their pharmaceutical use as antibacterials	20070509

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	182
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:	1
Topological Polar Surface Area:	17.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5