2,2-Diethoxy-1- (3-fluorophenyl) ethanone

CAT: 0127-PC1011221-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-PC1011221-01Size:250 mg

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CAS Number

1443310-16-4

Purity

95%

Smiles

C (=O) (C (OCC) OCC) c1cc (F) ccc1

Chemical Information

2,2-Diethoxy-1-(3-fluorophenyl)ethanone

CAS Number	1443310-16-4
PubChem CID	79494972
IUPAC Name	2,2-diethoxy-1-(3-fluorophenyl)ethanone
Molecular Formula	C12H15FO3
Molecular Weight	226.24
XLogP	2.3
Topological Polar Surface Area	35.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Heavy Atom Count	16
Formal Charge	0
Complexity	214

SMILES

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

InChI

InChI=1S/C12H15FO3/c1-3-15-12(16-4-2)11(14)9-6-5-7-10(13)8-9/h5-8,12H,3-4H2,1-2H3

InChIKey

FVWIKTXLLALXKT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1443310-16-4

CID: 79494972

Formula: C12H15FO3

MW: 226.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	226.24
XLogP3	2.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	226.10052250
Monoisotopic Mass	226.10052250
Topological Polar Surface Area	35.5 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	214
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
OR1096457-01	2,2-Diethoxy-1- (2-thienyl) ethanone
PC1011235-01	2,2-Diethoxy-1- (3-fluoro-5-methylphenyl) ethanone
PC1026745-01	Ethanone, 1- (2-fluorophenyl) -2- (4-fluorophenyl) -
PC1010362-01	2-fluoro-1- (3-fluorophenyl) ethanone
PC103403-01	1- (3-Amino-2-fluorophenyl) ethanone
PC100315-01	1- (3- (Difluoromethyl) -2-fluorophenyl) ethanone
PC1012273-01	1- (2-ethoxy-3-fluorophenyl) ethanone
PC1014511-01	1-[3- (Cyclopropylmethoxy) -2-fluorophenyl]ethanone
PC49589	1- (2-Amino-3-fluorophenyl) ethanone
PC106493	1-[3- (2-Fluorophenyl) phenyl]ethanone

Catalog	Name
IXB41891-01	1- (2-Fluorophenyl) -2- (3-fluorophenyl) ethanone
RG-F122105-01	1- (2-Fluorophenyl) Ethanone
JXB75466-01	1- (2-Fluorophenyl) -2- (4-fluorophenyl) ethanone
407518	1- (2-Chloro-3-fluorophenyl) ethanone
sc-258429A	1- (3-Fluorophenyl) -2- (methylsulphonyl) ethanone
sc-287877A	2-Chloro-1- (3-fluorophenyl) ethanone
TRC-C380325-10G	1-(2-Chloro-3-fluorophenyl)ethanone
AR-P02554-01	1-cyclopropyl-2- (3-fluorophenyl) ethanone
407735-01	1- (3-Bromo-2-fluorophenyl) ethanone
CGC41284	2-Fluoro-1- (2-fluorophenyl) ethanone