2',6'-Difluoro-3'-methoxyacetophenone

CAT: 0127-PC302666-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-PC302666-01Size:1 g

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CAS Number

1206593-23-8

MDL Number

MFCD20487626

Purity

98%

Smiles

COc1ccc(F)c(C(=O)C)c1F

Chemical Information

2',6'-Difluoro-3'-methoxyacetophenone

CAS Number	1206593-23-8
PubChem CID	60138026
IUPAC Name	1-(2,6-difluoro-3-methoxyphenyl)ethanone
Molecular Formula	C9H8F2O2
Molecular Weight	186.15
XLogP	1.8
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	13
Formal Charge	0
Complexity	196

SMILES

CC(=O)C1=C(C=CC(=C1F)OC)F

InChI

InChI=1S/C9H8F2O2/c1-5(12)8-6(10)3-4-7(13-2)9(8)11/h3-4H,1-2H3

InChIKey

ABYCRPRVOGSMLF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1206593-23-8

CID: 60138026

Formula: C9H8F2O2

MW: 186.15

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	186.15
XLogP3	1.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	186.04923582
Monoisotopic Mass	186.04923582
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	196
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
PC520530-01	2',6'-Difluoro-4'-methoxyacetophenone
PC302661	2',4'-Difluoro-3'-methoxyacetophenone
PC3283	3',5'-Difluoro-4'-methoxyacetophenone
OR400510	3'-Bromo-2'-chloro-6'-methoxyacetophenone
PC4586-01	2'-Fluoro-6'-methoxyacetophenone
OR28267-01	2'-Hydroxy-6'-methoxyacetophenone
OR400097-01	2-Bromo-6-methoxyacetophenone
PC58064-01	3'-Bromo-2'-fluoro-6'-methoxyacetophenone
OR400137	2'-Iodo-6'-methoxyacetophenone
OR400351	3'-Bromo-6'-chloro-2'-methoxyacetophenone

Catalog	Name
sc-275536	2',4'-Difluoro-3'-methoxyacetophenone
sc-267008	3',5'-Difluoro-4'-methoxyacetophenone
FB67570-01	2'-Benzoyloxy-6'-methoxyacetophenone
FH71010-01	2-Hydroxy-6-methoxyacetophenone
HY-N9874	2,6-Dihydroxy-3-methyl4-methoxyacetophenone
sc-275529	2'-Fluoro-6'-methoxyacetophenone
FB67534-01	2-Benzyloxy-6-methoxyacetophenone
421166-01	2'-Hydroxy-6'-methoxyacetophenone
TB00196	2',4'-Dihydroxy-6'-methoxyacetophenone
HY-N9695-01	2,6-Dihydroxy-4-methoxyacetophenone