Metaflumizone-Ketone

CAT: 1596-AR-M04288-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-M04288-01Size:10 Units

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

146653-56-7

Molecular Formula

C16H10F3NO

Molecular Weight

289.26

API Name

Metaflumizone

Chemical Information

4-(2-Oxo-2-(3-(trifluoromethyl)phenyl)ethyl)benzonitrile

CAS Number	146653-56-7
PubChem CID	11437710
IUPAC Name	4-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]benzonitrile
Molecular Formula	C16H10F3NO
Molecular Weight	289.25
XLogP	3.8
Topological Polar Surface Area	40.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Heavy Atom Count	21
Formal Charge	0
Complexity	415

SMILES

C1=CC(=CC(=C1)C(F)(F)F)C(=O)CC2=CC=C(C=C2)C#N

InChI

InChI=1S/C16H10F3NO/c17-16(18,19)14-3-1-2-13(9-14)15(21)8-11-4-6-12(10-20)7-5-11/h1-7,9H,8H2

InChIKey

CMHGFDOROXXOOB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 146653-56-7

CID: 11437710

Formula: C16H10F3NO

MW: 289.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	289.25
XLogP3	3.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	289.07144843
Monoisotopic Mass	289.07144843
Topological Polar Surface Area	40.9 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	415
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
AR-M04289-01	Metaflumizone
AR-M04290-01	Metaflumizone-d4
AR-M04287-01	Metaflumizone-d6
AR-E09574-01	Elsholtzia Ketone Impurity 1 (Naginata Ketone)
AR-E11586-01	Ezetimibe Ketone
AR-D06992-01	Dicyclohexyl Ketone
AR-M01735-01	Mexiletine Ketone
AR-P01471-01	Perilla Ketone
AR-E09573-01	Elsholtzia Ketone
AR-D06994-01	Dicyclohexyl Ketone Chloride