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Bentazon

CAT: 0572-TRC-B120580-5GSize: 5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-B120580-5GSize:5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
25057-89-0
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
CC(C)N1C(=O)c2ccccc2NS1(=O)=O
Molecular Formula
C10 H12 N2 O3 S
Molecular Weight
240.28
InChI
InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3
Additionnal Information
IUPAC name: 2,2-dioxo-3-propan-2-yl-1H-2λ^{6},1,3-benzothiadiazin-4-one
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Bentazon

Bentazone is a benzothiadiazine that is 1H-2,1,3-benzothiadiazin-4(3H)-one 2,2-dioxide substituted by an isopropyl group at position 3. It has a role as a herbicide, a xenobiotic and an environmental contaminant.

CAS Number25057-89-0
PubChem CID2328
IUPAC Name2,2-dioxo-3-propan-2-yl-1H-2lambda6,1,3-benzothiadiazin-4-one
Molecular FormulaC10H12N2O3S
Molecular Weight240.28
XLogP2.8
Topological Polar Surface Area74.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count16
Formal Charge0
Complexity385
SMILES
CC(C)N1C(=O)C2=CC=CC=C2NS1(=O)=O
InChI
InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3
InChIKey
ZOMSMJKLGFBRBS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bentazon
CAS: 25057-89-0
CID: 2328
Formula: C10H12N2O3S
MW: 240.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight240.28
XLogP32.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass240.05686342
Monoisotopic Mass240.05686342
Topological Polar Surface Area74.9 Ų
Heavy Atom Count16
Formal Charge0
Complexity385
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
262189-01Bentazon
S-395Bentazon - 1ML
sc-227306Bentazon-d7
sc-4895626-Hydroxy Bentazon
sc-257121Bentazon methyl derivative
HY-132437S-016-Hydroxy Bentazon-d7

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