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Metribuzin DADK

CAT: 0572-TRC-M339085-250MGSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-M339085-250MGSize:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
52236-30-3
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
CC(C)(C)C1=NNC(=O)NC1=O
Molecular Formula
C7 H11 N3 O2
Molecular Weight
169.18
InChI
InChI=1S/C7H11N3O2/c1-7(2,3)4-5(11)8-6(12)10-9-4/h1-3H3,(H2,8,10,11,12)
Additionnal Information
IUPAC name: 6-tert-butyl-2H-1,2,4-triazine-3,5-dione
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

1,2,4-Triazine-2,5(2H,4H)-dione, 6-(1,1-dimethylethyl)-
CAS Number52236-30-3
PubChem CID40299
IUPAC Name6-tert-butyl-2H-1,2,4-triazine-3,5-dione
Molecular FormulaC7H11N3O2
Molecular Weight169.18
XLogP1.2
Topological Polar Surface Area70.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count12
Formal Charge0
Complexity262
SMILES
CC(C)(C)C1=NNC(=O)NC1=O
InChI
InChI=1S/C7H11N3O2/c1-7(2,3)4-5(11)8-6(12)10-9-4/h1-3H3,(H2,8,10,11,12)
InChIKey
ZARIFGFXSIZTAK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,2,4-Triazine-2,5(2H,4H)-dione, 6-(1,1-dimethylethyl)-
CAS: 52236-30-3
CID: 40299
Formula: C7H11N3O2
MW: 169.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight169.18
XLogP31.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass169.085126602
Monoisotopic Mass169.085126602
Topological Polar Surface Area70.6 Ų
Heavy Atom Count12
Formal Charge0
Complexity262
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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