Products for Research Use Only

Metflurazon

CAT: 0013-GTR19193880-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19193880-02Size:50 mg
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Description
Metflurazon is a pro-herbicide belonging to the pyridazinone chemical class. It is used in plant biology research to study herbicide mechanisms, particularly for investigating phytotoxicity and pigment biosynthesis inhibition in both in vitro and whole-plant systems.
CAS Number
23576-23-0
Smiles
O=C1C (Cl) =C (C=NN1C2=CC=CC (=C2) C (F) (F) F) N (C) C
Molecular Formula
C13H11ClF3N3O
Molecular Weight
317.69
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Metflurazon

structure

CAS Number23576-23-0
PubChem CID32011
IUPAC Name4-chloro-5-(dimethylamino)-2-[3-(trifluoromethyl)phenyl]pyridazin-3-one
Molecular FormulaC13H11ClF3N3O
Molecular Weight317.69
XLogP2.4
Topological Polar Surface Area35.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count21
Formal Charge0
Complexity488
SMILES
CN(C)C1=C(C(=O)N(N=C1)C2=CC=CC(=C2)C(F)(F)F)Cl
InChI
InChI=1S/C13H11ClF3N3O/c1-19(2)10-7-18-20(12(21)11(10)14)9-5-3-4-8(6-9)13(15,16)17/h3-7H,1-2H3
InChIKey
CYQMVKQKBFFDOO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Metflurazon
CAS: 23576-23-0
CID: 32011
Formula: C13H11ClF3N3O
MW: 317.69
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight317.69
XLogP32.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass317.0542742
Monoisotopic Mass317.0542742
Topological Polar Surface Area35.9 Ų
Heavy Atom Count21
Formal Charge0
Complexity488
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

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