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Flutriafol

CAT: 0931-T7867-06Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0931-T7867-06Size:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
76674-21-0
Target
Antifungal, NMDAR
Related Pathways
Microbiology/Virology, Neuroscience
Purity
>99.99%
Bioactivity
Flutriafol is a pesticide, demethylation inhibitor, and NMDA receptor agonist
Smiles
OC(CN1C=NC=N1)(C1=CC=C(F)C=C1)C1=CC=CC=C1F
Molecular Formula
C16H13F2N3O
Molecular Weight
301.29
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Flutriafol

1-(2-fluorophenyl)-1-(4-fluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanol is a tertiary alcohol that is ethanol in which one of the hydrogens at position 1 is replaced by an p-fluorophenyl group, the other hydrogen at position 1 is replaced by a p-fluorophenyl group, and one of the hydrogens at position 2 is replaced by a 1H-1,2,4-triazol-1-yl group. It is a tertiary alcohol, a member of triazoles and a member of monofluorobenzenes.

CAS Number76674-21-0
PubChem CID91727
IUPAC Name1-(2-fluorophenyl)-1-(4-fluorophenyl)-2-(1,2,4-triazol-1-yl)ethanol
Molecular FormulaC16H13F2N3O
Molecular Weight301.29
XLogP2.3
Topological Polar Surface Area50.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count22
Formal Charge0
Complexity365
SMILES
C1=CC=C(C(=C1)C(CN2C=NC=N2)(C3=CC=C(C=C3)F)O)F
InChI
InChI=1S/C16H13F2N3O/c17-13-7-5-12(6-8-13)16(22,9-21-11-19-10-20-21)14-3-1-2-4-15(14)18/h1-8,10-11,22H,9H2
InChIKey
JWUCHKBSVLQQCO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Flutriafol
CAS: 76674-21-0
CID: 91727
Formula: C16H13F2N3O
MW: 301.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight301.29
XLogP32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass301.10266837
Monoisotopic Mass301.10266837
Topological Polar Surface Area50.9 Ų
Heavy Atom Count22
Formal Charge0
Complexity365
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

Alternative Products

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MBS3611146-01Flutriafol
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AR-F01887-01Flutriafol Impurity B
AR-F01884-01Flutriafol Impurity D
AR-F01886-01Flutriafol Impurity E
P826860Flutriafol [CAS:76674-21-0] 100 ug/ml in Acetonitrile
S-2058-ACN1000 ug/mL Flutriafol in Acetonitrile Volume: 1mL Ampule - 1ML
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