2-Chloro-4-fluorophenylacetone

CAT: 0127-PC9399Size: 1 EachDry Ice: NoHazardous: No

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CAS Number

845781-18-2

Synonyms

1- (2-Chloro-4-fluorophenyl) propan-2-one

MDL Number

MFCD04117991

Purity

96%

Smiles

CC(=O)Cc1ccc(F)cc1Cl

Chemical Information

1-(2-Chloro-4-fluorophenyl)propan-2-one

CAS Number	845781-18-2
PubChem CID	2757564
IUPAC Name	1-(2-chloro-4-fluorophenyl)propan-2-one
Molecular Formula	C9H8ClFO
Molecular Weight	186.61
XLogP	2.5
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	172

SMILES

CC(=O)CC1=C(C=C(C=C1)F)Cl

InChI

InChI=1S/C9H8ClFO/c1-6(12)4-7-2-3-8(11)5-9(7)10/h2-3,5H,4H2,1H3

InChIKey

CDQMKCMBGINRCD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 845781-18-2

CID: 2757564

Formula: C9H8ClFO

MW: 186.61

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	186.61
XLogP3	2.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	186.0247707
Monoisotopic Mass	186.0247707
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	172
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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