6-Desfluoro Rufinamide

CAT: 0024-sc-500446Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-500446Size:5 mg

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CAS Number

106308-41-2

Chemical Information

1-(2-Fluorobenzyl)-1H-1,2,3-triazole-4-carboxamide

CAS Number	106308-41-2
PubChem CID	21282647
IUPAC Name	1-[(2-fluorophenyl)methyl]triazole-4-carboxamide
Molecular Formula	C10H9FN4O
Molecular Weight	220.20
XLogP	0.6
Topological Polar Surface Area	73.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	16
Formal Charge	0
Complexity	263

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

CAS: 106308-41-2

CID: 21282647

Formula: C10H9FN4O

MW: 220.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	220.20
XLogP3	0.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	220.07603909
Monoisotopic Mass	220.07603909
Topological Polar Surface Area	73.8 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	263
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-207112	6-Desfluoro-6-hydroxy Risperidone
sc-499492	6-Desfluoro-6-methoxy risperidone
sc-212794	Rufinamide
sc-218140	Desfluoro Fluvoxamine
sc-499490	Desfluoro ezetimibe
sc-207533	Desfluoro Bicalutamide
sc-391843	Desfluoro Risperidone
sc-500328	Desfluoro Fluvoxketone
sc-218139	Desfluoro Citalopram Oxalate
sc-499488	Desfluoro iloperidone impurity

Catalog	Name
438504-01	6-Desfluoro Rufinamide
TRC-D290317-25MG	6-Desfluoro Rufinamide-d2, 15N1
TRC-D440825-25MG	2,6-Didesfluoro Rufinamide
AR-R11682-01	Rufinamide 2,6-Didesfluoro Impurity
AR-D01819-01	6-desfluoro Difluprednate
T2523-01	Rufinamide