4- (4-Fluorophenyl) -4-methylpentan-2-one

CAT: 0926-AAA56537-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-AAA56537-01Size:50 mg

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CAS Number

565-37-7

MDL Number

MFCD09891054

Smiles

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

Molecular Formula

C12H15FO

Molecular Weight

194.24 g/mol

Controlled

Chemical Information

4-(4-Fluorophenyl)-4-methylpentan-2-one

CAS Number	565-37-7
PubChem CID	21314020
IUPAC Name	4-(4-fluorophenyl)-4-methylpentan-2-one
Molecular Formula	C12H15FO
Molecular Weight	194.24
XLogP	2.8
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	14
Formal Charge	0
Complexity	202

SMILES

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

InChI

InChI=1S/C12H15FO/c1-9(14)8-12(2,3)10-4-6-11(13)7-5-10/h4-7H,8H2,1-3H3

InChIKey

JBQJIHLKNRXCFK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 565-37-7

CID: 21314020

Formula: C12H15FO

MW: 194.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	194.24
XLogP3	2.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	194.110693260
Monoisotopic Mass	194.110693260
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	202
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

Catalog	Name
CXB22887-01	1- (2,4-Dichlorophenyl) -4-methylpentan-2-one
EAA11363-01	1-Chloro-4-methylpentan-2-one
VXC68752-01	1-Chloro-4-cyclopropyl-4-methylpentan-2-one
AXB90918-01	1- (3-Chlorophenyl) -4-methylpentan-2-one
FA165917-01	3-Amino-4-methylpentan-2-one hydrochloride
AEA76542-01	1- (4-Chlorophenyl) -4-methylpentan-3-one
WAA55001-01	1- (4-Methoxyphenyl) -4-methylpentan-1-one
LJA41801-01	1- (4-Chlorophenyl) -4-methylpentan-1-one
WAA97302-01	4- (1H-Indol-3-yl) -4-methylpentan-2-one
PKA12282-01	4- (4-Fluorophenyl) pyrrolidin-2-one

Catalog	Name
RG-H250481-01	4-Hydroxy-4-Methylpentan-2-One
OR42149-01	4-Mercapto-4-methylpentan-2-one
RG-C121510-01	4-Chloro-4-Methylpentan-2-One
OR1011083-01	4- ((2-Furylmethyl) thio) -4-methylpentan-2-one
OR346530	1-Bromo-4-methylpentan-2-one
RG-A261288-01	3-Chloro-4-Methylpentan-2-One
RG-M050881-01	4-Methylpentan-2-Ol
T203818-01	4-Mercapto-4-methylpentan-2-ol
T203321-01	4-Methylpentan-2-amine hydrochloride
OR304055-01	(S) - (+) -4-Methylpentan-2-ol