4'- (Difluoromethoxy) acetophenone

CAT: 0127-PC2846-01Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-PC2846-01Size:5 g

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CAS Number

83882-67-1

MDL Number

MFCD00042250

Purity

98%

Smiles

CC(=O)c1ccc(OC(F)F)cc1

Chemical Information

1-(4-(Difluoromethoxy)phenyl)ethan-1-one

CAS Number	83882-67-1
PubChem CID	737356
IUPAC Name	1-[4-(difluoromethoxy)phenyl]ethanone
Molecular Formula	C9H8F2O2
Molecular Weight	186.15
XLogP	2.7
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	13
Formal Charge	0
Complexity	174

SMILES

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

InChI

InChI=1S/C9H8F2O2/c1-6(12)7-2-4-8(5-3-7)13-9(10)11/h2-5,9H,1H3

InChIKey

GIGWRVLNOYPOIT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 83882-67-1

CID: 737356

Formula: C9H8F2O2

MW: 186.15

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	186.15
XLogP3	2.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	186.04923582
Monoisotopic Mass	186.04923582
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	174
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
PC53290	4- (Difluoromethoxy) -2- (trifluoromethyl) acetophenone
PC2132-01	3'- (Difluoromethoxy) acetophenone
PC5464-01	2'- (Difluoromethoxy) acetophenone
PC502171-01	5'-Bromo-2'- (difluoromethoxy) acetophenone
PC500946	4- (2,2-Difluoroethoxy) acetophenone
PC7433E-01	4'- (Trifluoromethoxy) acetophenone
PC8042-01	4'- (Trifluoromethylthio) acetophenone
PC6195-01	4'- (Trifluoroacetyl) acetophenone
OR1654-01	4'- (Benzyloxy) acetophenone
OR8170-01	4'- (Ethylsulphonyl) acetophenone

Catalog	Name
427633-01	3'- (Difluoromethoxy) acetophenone
429492-01	4- (Difluoromethoxy) acetophenone
sc-282962	2-Bromo-4'- (difluoromethoxy) acetophenone
C6969-500	Acetophenone