Fluindione

CAT: 1596-AR-F01649-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-F01649-01Size:10 Units

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CAS Number

957-56-2

Synonyms

2- (4-Fluorophenyl) -1H-indene-1,3 (2H) -dione; 2- (p-Fluorophenyl) -1,3-indandione; LM 123; Previscan

Molecular Formula

C15H9FO2

Molecular Weight

240.24

API Name

Fluindione

Chemical Information

Fluindione

Fluindione is a member of indanones and a cyclic ketone.

CAS Number	957-56-2
PubChem CID	68942
IUPAC Name	2-(4-fluorophenyl)indene-1,3-dione
Molecular Formula	C15H9FO2
Molecular Weight	240.23
XLogP	3
Topological Polar Surface Area	34.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	18
Formal Charge	0
Complexity	334

SMILES

C1=CC=C2C(=C1)C(=O)C(C2=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C15H9FO2/c16-10-7-5-9(6-8-10)13-14(17)11-3-1-2-4-12(11)15(13)18/h1-8,13H

InChIKey

NASXCEITKQITLD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 957-56-2

CID: 68942

Formula: C15H9FO2

MW: 240.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	240.23
XLogP3	3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	240.05865769
Monoisotopic Mass	240.05865769
Topological Polar Surface Area	34.1 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	334
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
HY-121124	Fluindione
HY-121124S-01	Fluindione-d4