1- (4-Fluorophenyl) -2-methoxyethan-1-one

CAT: 0926-XJA17937-01Size: 0.5 gDry Ice: NoHazardous: No

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CAT#:0926-XJA17937-01Size:0.5 g

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CAS Number

247179-37-9

MDL Number

MFCD11555996

Smiles

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

Molecular Formula

C9H9FO2

Molecular Weight

168.16 g/mol

Controlled

Chemical Information

1-(4-Fluorophenyl)-2-methoxyethanone

CAS Number	247179-37-9
PubChem CID	14866795
IUPAC Name	1-(4-fluorophenyl)-2-methoxyethanone
Molecular Formula	C9H9FO2
Molecular Weight	168.16
XLogP	1.6
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	12
Formal Charge	0
Complexity	151

SMILES

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

InChI

InChI=1S/C9H9FO2/c1-12-6-9(11)7-2-4-8(10)5-3-7/h2-5H,6H2,1H3

InChIKey

VFGAMJFLPBCOSX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 247179-37-9

CID: 14866795

Formula: C9H9FO2

MW: 168.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	168.16
XLogP3	1.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	168.05865769
Monoisotopic Mass	168.05865769
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	151
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
WMA83991-01	1- (4-Fluorophenyl) -2-methoxyethan-1-amine
KWC50603-01	2- (4-Fluorophenyl) -2-methoxyethan-1-ol
EEC96382-01	1- (4-Fluorophenyl) -2-methoxyethan-1-amine hydrochloride
MCA06469-01	2- (4-Fluorophenyl) -2-methoxyethan-1-amine hydrochloride
THC98160-01	1- (3-Chloro-2-fluorophenyl) -2-methoxyethan-1-one
FBA78045-01	1- (4-Chlorophenyl) -2-methoxyethan-1-one
HWB13676-01	1- (3,4-Difluorophenyl) -2-methoxyethan-1-one
BMB26072-01	1- (4-Aminopiperidin-1-yl) -2-methoxyethan-1-one
PAA96680-01	1-Cyclopentyl-2-methoxyethan-1-one
IWB57916-01	1- (4-Aminopiperidin-1-yl) -2-methoxyethan-1-one hydrochloride

Catalog	Name
PC100424-01	1- (4-Fluorophenyl) -2-methoxyethan-1-one
PC100861-01	1- (4-Fluorophenyl) -2-methoxyethan-1-amine hydrochloride
PC1003521-01	(S) -1- (4-fluorophenyl) -2-methoxyethan-1-amine hydrochloride
OR78458-01	1- (4-Chlorophenyl) -2-methoxyethan-1-one
sc-332746	1- (4-aminopiperidin-1-yl) -2-methoxyethan-1-one hydrochloride
OR1035711-01	1- (4-Chlorophenyl) -2-methoxyethan-1-amine
OR1034495-01	(S) -1- (4-Bromophenyl) -2-methoxyethan-1-amine
abx180128-01	1-(4-fluorophenyl)pyrrolidin-2-one
sc-286985A	1- (2-Fluorophenyl) piperidin-4-one
PC1006213-01	1- (4-Fluorophenyl) piperazin-2-one