2- (3-Chlorophenyl) -5'-fluoro-2'-hydroxyacetophenone

CAT: 0127-PC6563Size: 1 EachDry Ice: NoHazardous: No

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CAS Number

527751-49-1

MDL Number

MFCD03094384

Purity

=95%

Smiles

Oc1ccc(F)cc1C(=O)Cc2cccc(Cl)c2

Chemical Information

2-(3-Chlorophenyl)-5'-fluoro-2'-hydroxyacetophenone

CAS Number	527751-49-1
PubChem CID	2778588
IUPAC Name	2-(3-chlorophenyl)-1-(5-fluoro-2-hydroxyphenyl)ethanone
Molecular Formula	C14H10ClFO2
Molecular Weight	264.68
XLogP	4.1
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	18
Formal Charge	0
Complexity	298

SMILES

C1=CC(=CC(=C1)Cl)CC(=O)C2=C(C=CC(=C2)F)O

InChI

InChI=1S/C14H10ClFO2/c15-10-3-1-2-9(6-10)7-14(18)12-8-11(16)4-5-13(12)17/h1-6,8,17H,7H2

InChIKey

WKJACXUFNXGWOI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 527751-49-1

CID: 2778588

Formula: C14H10ClFO2

MW: 264.68

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	264.68
XLogP3	4.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	264.0353354
Monoisotopic Mass	264.0353354
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	298
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
PC6565	2- (2-Chlorophenyl) -5'-fluoro-2'-hydroxyacetophenone
PC6562	2- (4-Chlorophenyl) -5'-fluoro-2'-hydroxyacetophenone
PC3756-01	5'-Fluoro-2'-hydroxyacetophenone
PC27937-01	3’-Bromo-5’-fluoro-2’-hydroxyacetophenone
PC49370-01	2'-Fluoro-3'-hydroxyacetophenone
PC49371-01	3'-Fluoro-2'-hydroxyacetophenone
PC27938-01	5’-Bromo-3’-fluoro-2’-hydroxyacetophenone
PC6566	2- (4-Bromophenyl) -5'-fluoro-2'-hydroxyacetophenone
PC3755P-01	4'-Fluoro-2'-hydroxyacetophenone
PC9896-01	2'-Fluoro-6'-hydroxyacetophenone

Catalog	Name
277898-01	3'-Fluoro-2'-Hydroxyacetophenone
FF53596-01	3'-Fluoro-4'-hydroxyacetophenone
232359-01	3'-Fluoro-2'-Hydroxyacetophenone 99+% (GC)
sc-352356	3',5'-Dibromo-2'-hydroxyacetophenone
sc-335921	3',5'-Dimethyl-2'-hydroxyacetophenone
FD53807-01	3',5'-Dichloro-2'-hydroxyacetophenone
GTR19252688-01	3',5'-Difluoro-2'-hydroxyacetophenone
232360-01	3'-Fluoro-4'-hydroxyacetophenone 99+% (HPLC)
sc-232169	3'-Bromo-5'-chloro-2'-hydroxyacetophenone
D15480	3 5-Dichloro-2-Hydroxyacetophenone 97%