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Benoxacor

CAT: 0931-T19805-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T19805-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
98730-04-2
Target
Others, GST
Related Pathways
Oxidation-Reduction, Others
Purity
0.9997
Bioactivity
Benoxacor (BRN-4190275) is an inert agricultural chemical. Benoxacor acts as an herbicide safener to protect crops from herbicide toxicity.
Smiles
CC1COC2=C(C=CC=C2)N1C(=O)C(Cl)Cl
Molecular Formula
C11H11Cl2NO2
Molecular Weight
260.12
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Benoxacor

Benoxacor is a benzoxazine.

CAS Number98730-04-2
PubChem CID62306
IUPAC Name2,2-dichloro-1-(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone
Molecular FormulaC11H11Cl2NO2
Molecular Weight260.11
XLogP2.8
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count16
Formal Charge0
Complexity273
SMILES
CC1COC2=CC=CC=C2N1C(=O)C(Cl)Cl
InChI
InChI=1S/C11H11Cl2NO2/c1-7-6-16-9-5-3-2-4-8(9)14(7)11(15)10(12)13/h2-5,7,10H,6H2,1H3
InChIKey
PFJJMJDEVDLPNE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Benoxacor
CAS: 98730-04-2
CID: 62306
Formula: C11H11Cl2NO2
MW: 260.11
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight260.11
XLogP32.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass259.0166840
Monoisotopic Mass259.0166840
Topological Polar Surface Area29.5 Ų
Heavy Atom Count16
Formal Charge0
Complexity273
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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