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Pyriofenone

CAT: 0926-AP167305-02Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0926-AP167305-02Size:2 mg
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CAS Number
688046-61-9
MDL Number
MFCD30475733
Smiles
CC1=CC (=C (C (=C1C (=O) C2=C (C (=CN=C2OC) Cl) C) OC) OC) OC
Molecular Formula
C18H20ClNO5
Molecular Weight
365.81 g/mol
Controlled
No

Chemical Information

Pyriofenone

Pyriofenone is an aromatic ketone that is metrafenone in which the 3-bromo-6-methoxy-2-methylphenyl group is replaced by a 5-chloro-2-methoxy-4-methylpyridin-3-yl group. It is a fungicide developed for the control of powdery mildew in cereals and grape vines. It has a role as an antifungal agrochemical. It is an aromatic ether, a chloropyridine, an aromatic ketone and an aryl phenyl ketone fungicide.

CAS Number688046-61-9
PubChem CID23082663
IUPAC Name(5-chloro-2-methoxy-4-methyl-3-pyridinyl)-(2,3,4-trimethoxy-6-methylphenyl)methanone
Molecular FormulaC18H20ClNO5
Molecular Weight365.8
XLogP3.8
Topological Polar Surface Area66.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count25
Formal Charge0
Complexity451
SMILES
CC1=CC(=C(C(=C1C(=O)C2=C(C(=CN=C2OC)Cl)C)OC)OC)OC
InChI
InChI=1S/C18H20ClNO5/c1-9-7-12(22-3)16(23-4)17(24-5)13(9)15(21)14-10(2)11(19)8-20-18(14)25-6/h7-8H,1-6H3
InChIKey
NMVCBWZLCXANER-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pyriofenone
CAS: 688046-61-9
CID: 23082663
Formula: C18H20ClNO5
MW: 365.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight365.8
XLogP33.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass365.1030004
Monoisotopic Mass365.1030004
Topological Polar Surface Area66.9 Ų
Heavy Atom Count25
Formal Charge0
Complexity451
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T211342-01Pyriofenone
HY-W742324SPyriofenone-d9

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