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Amisulbrom

CAT: 1596-AR-A06281-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-A06281-02Size:25 Units
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CAS Number
348635-87-0
Molecular Formula
C13H13BrFN5O4S2
Molecular Weight
466.30
API Name
Amisulbrom

Chemical Information

Amisulbrom

Amisulbrom is a member of the class of bromoindoles that is 3-bromo-6-fluoro-2-methylindole substituted at position 1 by a 1-(dimethylsulfamyl)-1,2,4-triazole-3-sulfonyl group. A fungicide for use on potatoes to control late blight (Phytophthora infestans) and downy mildew [Plasmopara viticola). It has a low mammalian toxicity but it is considered to be a reproduction toxicant, is moderately toxic to birds and honey bees but poses a greater risk to aquatic species and earthworms. It has a role as a mitochondrial cytochrome-bc1 complex inhibitor and an antifungal agrochemical. It is a sulfonamide, a member of triazoles, an organofluorine compound, a member of sulfamides, a bromoindole, a sulfonamide fungicide and a triazole fungicide.

CAS Number348635-87-0
PubChem CID10238657
IUPAC Name3-(3-bromo-6-fluoro-2-methylindol-1-yl)sulfonyl-N,N-dimethyl-1,2,4-triazole-1-sulfonamide
Molecular FormulaC13H13BrFN5O4S2
Molecular Weight466.3
XLogP2.4
Topological Polar Surface Area124
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Heavy Atom Count26
Formal Charge0
Complexity741
SMILES
CC1=C(C2=C(N1S(=O)(=O)C3=NN(C=N3)S(=O)(=O)N(C)C)C=C(C=C2)F)Br
InChI
InChI=1S/C13H13BrFN5O4S2/c1-8-12(14)10-5-4-9(15)6-11(10)20(8)25(21,22)13-16-7-19(17-13)26(23,24)18(2)3/h4-7H,1-3H3
InChIKey
BREATYVWRHIPIY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Amisulbrom
CAS: 348635-87-0
CID: 10238657
Formula: C13H13BrFN5O4S2
MW: 466.3
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight466.3
XLogP32.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass464.95764
Monoisotopic Mass464.95764
Topological Polar Surface Area124 Ų
Heavy Atom Count26
Formal Charge0
Complexity741
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
BA8010-10Amisulbrom
HY-121214RAmisulbrom (Standard)

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