Flupoxam

CAT: 1299-RM-F192900-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-F192900-02Size:25 mg

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

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CAS Number

119126-15-7

Synonyms

1- (4-chloro-3- ((2,2,3,3,3-pentafluoropropoxy) methyl) phenyl) -5-phenyl-1H-1,2,4-triazole-3-carboxamide

Molecular Formula

C19H14ClF5N4O2

Molecular Weight

460.79

Target Alternative Name

Flupoxam

Product Name Synonym

1- (4-chloro-3- ((2,2,3,3,3-pentafluoropropoxy) methyl) phenyl) -5-phenyl-1H-1,2,4-triazole-3-carboxamide

Chemical Information

Flupoxam

Flupoxam is a benzyl ether.

CAS Number	119126-15-7
PubChem CID	86353
IUPAC Name	1-[4-chloro-3-(2,2,3,3,3-pentafluoropropoxymethyl)phenyl]-5-phenyl-1,2,4-triazole-3-carboxamide
Molecular Formula	C19H14ClF5N4O2
Molecular Weight	460.8
XLogP	4.6
Topological Polar Surface Area	83
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	7
Heavy Atom Count	31
Formal Charge	0
Complexity	621

SMILES

C1=CC=C(C=C1)C2=NC(=NN2C3=CC(=C(C=C3)Cl)COCC(C(F)(F)F)(F)F)C(=O)N

InChI

InChI=1S/C19H14ClF5N4O2/c20-14-7-6-13(8-12(14)9-31-10-18(21,22)19(23,24)25)29-17(11-4-2-1-3-5-11)27-16(28-29)15(26)30/h1-8H,9-10H2,(H2,26,30)

InChIKey

AOQMRUTZEYVDIL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 119126-15-7

CID: 86353

Formula: C19H14ClF5N4O2

MW: 460.8

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	460.8
XLogP3	4.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	7
Exact Mass	460.0725442
Monoisotopic Mass	460.0725442
Topological Polar Surface Area	83 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	621
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
TRC-F148350-500MG	Flupoxam