Flumioxazin

Synonyms: Flumioxazin, "Sumisoya", "Flumioxazine", "7-Fluoro-6-(3,4,5,6-tetrahydrophthalimido)-4-(2-propynyl)-1,4-benzoxazin-3(2H)-one"

Source: Flumioxazin is a soil?applied herbicide

Identifiers:

IUPAC Name: 2-(7-fluoro-3-oxo-4-prop-2-ynyl-1,4-benzoxazin-6-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione
CAS Number: 103361-09-7
PubChem ID: 92425
InChiKey: FOUWCSDKDDHKQP-UHFFFAOYSA-N
Canonical SMILES: C#CCN1C(=O)COC2=CC(=C(C=C21)N3C(=O)C4=C(C3=O)CCCC4)F

Structural Properties:

Molecular Formula: C₁₉H₁₅FN₂O₄
Molecular Weight: 354,300

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 5
Number of atoms different from hydrogen: 26

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2D structure (.sdf)
3D structure (.sdf)
3D structure (.mol2)
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3D structure (.pdbqt)

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Evidence Supporting This Chemical as an Emerging Contaminant

Syakti, A. D., Ahmed, M. M., Hidayati, N. V., Hilmi, E., Sulystyo, I., Piram, A., & Doumenq, P. (2013). Screening of emerging pollutants in the mangrove of Segara Anakan Nature Reserve, Indonesia. IERI Procedia, 5, 216-222.

External Links

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2D-structure

3D-structure