Flupyrimin

CAT: 1596-AR-F10498-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-F10498-01Size:10 Units

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

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CAS Number

1689566-03-7

Molecular Formula

C13H9ClF3N3O

Molecular Weight

315.68

API Name

Flupyrimin

Chemical Information

Flupyrimin

CAS Number	1689566-03-7
PubChem CID	14127920
IUPAC Name	N-[1-[(6-chloro-3-pyridinyl)methyl]-2-pyridinylidene]-2,2,2-trifluoroacetamide
Molecular Formula	C13H9ClF3N3O
Molecular Weight	315.68
XLogP	3
Topological Polar Surface Area	45.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Heavy Atom Count	21
Formal Charge	0
Complexity	488

SMILES

C1=CC(=NC(=O)C(F)(F)F)N(C=C1)CC2=CN=C(C=C2)Cl

InChI

InChI=1S/C13H9ClF3N3O/c14-10-5-4-9(7-18-10)8-20-6-2-1-3-11(20)19-12(21)13(15,16)17/h1-7H,8H2

InChIKey

DHQKLWKZSFCKTA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1689566-03-7

CID: 14127920

Formula: C13H9ClF3N3O

MW: 315.68

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	315.68
XLogP3	3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	315.0386241
Monoisotopic Mass	315.0386241
Topological Polar Surface Area	45.6 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	488
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