2’,3’-Difluoro-5’-methylacetophenone

CAT: 0127-PC56813Size: 1 EachDry Ice: NoHazardous: No

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CAT#:0127-PC56813Size:1 Each

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CAS Number

1806306-82-0

MDL Number

MFCD28790251

Purity

=95%

Smiles

CC(=O)c1cc(C)cc(F)c1F

Chemical Information

2',3'-Difluoro-5'-methylacetophenone

CAS Number	1806306-82-0
PubChem CID	117276771
IUPAC Name	1-(2,3-difluoro-5-methylphenyl)ethanone
Molecular Formula	C9H8F2O
Molecular Weight	170.16
XLogP	2.2
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	12
Formal Charge	0
Complexity	181

SMILES

CC1=CC(=C(C(=C1)F)F)C(=O)C

InChI

InChI=1S/C9H8F2O/c1-5-3-7(6(2)12)9(11)8(10)4-5/h3-4H,1-2H3

InChIKey

UFFPYOKMQGJEDJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1806306-82-0

CID: 117276771

Formula: C9H8F2O

MW: 170.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	170.16
XLogP3	2.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	170.05432120
Monoisotopic Mass	170.05432120
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	181
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
PC303240	2',3'-Difluoro-5'-methoxy-4'-methylacetophenone
PC0228-01	2',3'-Difluoro-4'-methylacetophenone
PC0229-01	2',6'-Difluoro-3'-methylacetophenone
PC3817KP-01	2'-Fluoro-5'-methylacetophenone
OR1126-01	2'-Hydroxy-5'-methylacetophenone
OR55444	5'-Bromo-2'-Methoxy-3'-methylacetophenone
OR400653-01	3'-Bromo-5'-methylacetophenone
PC302555-01	3'-Fluoro-5'-methylacetophenone
PC302118-01	5'-Fluoro-2'-methylacetophenone
OR60262-01	3'-Iodo-2'-methylacetophenone

Catalog	Name
sc-322016A	2,3-Difluoro-4-methylacetophenone
421223-01	2',3'-Difluoro-4'-methylacetophenone
sc-266269	2',6'-Difluoro-3'-methylacetophenone
sc-322096A	2,6-Difluoro-3-methylacetophenone
GTR19270078-01	2'-Hydroxy-5'-methylacetophenone
FH33098-01	2-Hydroxy-5-methylacetophenone
sc-275528	2'-Fluoro-5'-methylacetophenone
FA70042-01	3-Amino-2-hydroxy-5-methylacetophenone
sc-299175A	3'-Fluoro-5'-methylacetophenone
sc-299922	5'-Fluoro-2'-methylacetophenone