3-Chloro-1-(2-fluorophenyl)-1-propanone - CAS 898767-04-9

Catalog:	BB039658
Product Name:	3-Chloro-1-(2-fluorophenyl)-1-propanone
CAS:	898767-04-9
Synonyms:	3-chloro-1-(2-fluorophenyl)-1-propanone; 3-chloro-1-(2-fluorophenyl)propan-1-one

Technical Data

Patents

Computed Properties

IUPAC Name:	3-chloro-1-(2-fluorophenyl)propan-1-one
Description:	3-Chloro-1-(2-fluorophenyl)-1-propanone (CAS# 898767-04-9 ) is a useful research chemical.
Molecular Weight:	186.61
Molecular Formula:	C9H8ClFO
Canonical SMILES:	C1=CC=C(C(=C1)C(=O)CCCl)F
InChI:	InChI=1S/C9H8ClFO/c10-6-5-9(12)7-3-1-2-4-8(7)11/h1-4H,5-6H2
InChI Key:	WCNSDVGUYXGZDE-UHFFFAOYSA-N
Boiling Point:	265 °C at 760 mmHg
Density:	1.219 g/cm³
MDL:	MFCD07699515
LogP:	2.63730

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid

Complexity:	161
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	186.0247707
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	186.0247707
Rotatable Bond Count:	3
Topological Polar Surface Area:	17.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2