1- (4-Fluorophenyl) -3-methoxypropan-1-one

CAT: 0926-HWB68747-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0926-HWB68747-01Size:250 mg

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CAS Number

1157687-47-2

MDL Number

MFCD12058710

Smiles

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

Molecular Formula

C10H11FO2

Molecular Weight

182.19 g/mol

Controlled

Chemical Information

1-(4-Fluorophenyl)-3-methoxypropan-1-one

CAS Number	1157687-47-2
PubChem CID	43793503
IUPAC Name	1-(4-fluorophenyl)-3-methoxypropan-1-one
Molecular Formula	C10H11FO2
Molecular Weight	182.19
XLogP	1.5
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	13
Formal Charge	0
Complexity	162

SMILES

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

InChI

InChI=1S/C10H11FO2/c1-13-7-6-10(12)8-2-4-9(11)5-3-8/h2-5H,6-7H2,1H3

InChIKey

HAGQPYCYYAFTDJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1157687-47-2

CID: 43793503

Formula: C10H11FO2

MW: 182.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	182.19
XLogP3	1.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	182.07430775
Monoisotopic Mass	182.07430775
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	162
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
MCA06477-01	1- (4-Fluorophenyl) -1-methoxypropan-2-amine hydrochloride
NAA48714-01	1-Cyclohexyl-3-methoxypropan-1-one
UJA78932-01	1- (4-Aminopiperidin-1-yl) -3-methoxypropan-1-one
ACA91861-01	1-Chloro-3-methoxypropan-2-one
HHC68051-01	1- (2-Fluorophenyl) -1-methoxypropan-2-amine hydrochloride
TFA58942-01	3- (4-Fluorophenyl) cyclobutan-1-one
LCA66802-01	1- (4-Fluorophenyl) but-3-en-1-one
DDA49426-01	3- (4-Fluorophenyl) cyclohexan-1-one
SDA45194-01	1- (4-Fluorophenyl) -3-phenoxypropan-1-one
AAA82943-01	1- (4-Fluorophenyl) -3-methylbutan-1-one

Catalog	Name
OR1071739-01	1- (4-Chlorophenyl) -3-methoxypropan-1-amine
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PC106341	1- (4-Fluorophenyl) -3-methylbutan-1-one
OR1071379-01	1- (4-Chlorophenyl) -3-methoxypropan-1-amine hydrochloride
PC1009010-01	3- (4-Fluorophenyl) -2-cyclohexen-1-one
PC1011379-01	1- (4- (benzyloxy) -3-fluorophenyl) propan-1-one
PC110762-01	1- (4-Fluorophenyl) -2,3-butadien-1-one
PC110351-01	1- (4-Ethoxy-3-fluorophenyl) ethan-1-one