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Flubendazole EP Impurity E

CAT: 1596-AR-F10227-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-F10227-01Size:10 Units
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CAS Number
66939-00-2
Synonyms
Methyl (5- (2-fluorobenzoyl) -1H-benzo[d]imidazol-2-yl) carbamate
Molecular Formula
C16H12FN3O3
Molecular Weight
313.29
API Name
Flubendazole

Chemical Information

Flubendazole EP Impurity E
CAS Number66939-00-2
PubChem CID129318574
IUPAC Namemethyl N-[6-(2-fluorobenzoyl)-1H-benzimidazol-2-yl]carbamate
Molecular FormulaC16H12FN3O3
Molecular Weight313.28
XLogP2.9
Topological Polar Surface Area84.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count23
Formal Charge0
Complexity462
SMILES
COC(=O)NC1=NC2=C(N1)C=C(C=C2)C(=O)C3=CC=CC=C3F
InChI
InChI=1S/C16H12FN3O3/c1-23-16(22)20-15-18-12-7-6-9(8-13(12)19-15)14(21)10-4-2-3-5-11(10)17/h2-8H,1H3,(H2,18,19,20,22)
InChIKey
QTHXIRKBRCLTPI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Flubendazole EP Impurity E
CAS: 66939-00-2
CID: 129318574
Formula: C16H12FN3O3
MW: 313.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight313.28
XLogP32.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass313.08626942
Monoisotopic Mass313.08626942
Topological Polar Surface Area84.1 Ų
Heavy Atom Count23
Formal Charge0
Complexity462
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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