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6-Desfluoro Rufinamide

CAT: 0572-TRC-D290315-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D290315-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
106308-41-2
Synonyms
1-(2-Fluorobenzyl)-1H-1,2,3-triazole-4-carboxamide; Rufinamide Related Compound A
Hazard Statement
Causes skin irritation
Purity
>95% (HPLC)
Smiles
NC(=O)c1cn(Cc2ccccc2F)nn1
Molecular Formula
C10 H9 F N4 O
Molecular Weight
220.2
InChI
InChI=1S/C10H9FN4O/c11-8-4-2-1-3-7(8)5-15-6-9(10(12)16)13-14-15/h1-4,6H,5H2,(H2,12,16)
Additionnal Information
IUPAC name: 1-[(2-fluorophenyl)methyl]triazole-4-carboxamide
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

1-(2-Fluorobenzyl)-1H-1,2,3-triazole-4-carboxamide
CAS Number106308-41-2
PubChem CID21282647
IUPAC Name1-[(2-fluorophenyl)methyl]triazole-4-carboxamide
Molecular FormulaC10H9FN4O
Molecular Weight220.20
XLogP0.6
Topological Polar Surface Area73.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count16
Formal Charge0
Complexity263
SMILES
C1=CC=C(C(=C1)CN2C=C(N=N2)C(=O)N)F
InChI
InChI=1S/C10H9FN4O/c11-8-4-2-1-3-7(8)5-15-6-9(10(12)16)13-14-15/h1-4,6H,5H2,(H2,12,16)
InChIKey
SWVCWRVIISPNQX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(2-Fluorobenzyl)-1H-1,2,3-triazole-4-carboxamide
CAS: 106308-41-2
CID: 21282647
Formula: C10H9FN4O
MW: 220.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight220.20
XLogP30.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass220.07603909
Monoisotopic Mass220.07603909
Topological Polar Surface Area73.8 Ų
Heavy Atom Count16
Formal Charge0
Complexity263
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

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