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Pantoprazole impurity 1 (Standard)

CAT: 0804-HY-Z2373RSize: 1 EachDry Ice: NoHazardous: No
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Description
5- (difluoromethoxy) -1H-benzo[d]imidazol-2-ol (Pantoprazole Impurity) (Standard) is the analytical standard of 5- (difluoromethoxy) -1H-benzo[d]imidazol-2-ol (Pantoprazole Impurity) . This product is intended for research and analytical applications.
CAS Number
1806469-15-7
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Reference Standards
Related Pathways
Others
Smiles
OC1=NC2=CC(OC(F)F)=CC=C2N1
Molecular Formula
C8H6F2N2O2
Molecular Weight
200.14
Precautions
H302, H315, H319, H335
Shipping Conditions
Room temperature
Scientific Category
Reference Standards

Chemical Information

5-(Difluoromethoxy)-1,3-dihydro-2H-benzimidazol-2-one
CAS Number1806469-15-7
PubChem CID130865360
IUPAC Name5-(difluoromethoxy)-1,3-dihydrobenzimidazol-2-one
Molecular FormulaC8H6F2N2O2
Molecular Weight200.14
XLogP1.5
Topological Polar Surface Area50.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count14
Formal Charge0
Complexity237
SMILES
C1=CC2=C(C=C1OC(F)F)NC(=O)N2
InChI
InChI=1S/C8H6F2N2O2/c9-7(10)14-4-1-2-5-6(3-4)12-8(13)11-5/h1-3,7H,(H2,11,12,13)
InChIKey
WGSZJVSNGVDBHX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-(Difluoromethoxy)-1,3-dihydro-2H-benzimidazol-2-one
CAS: 1806469-15-7
CID: 130865360
Formula: C8H6F2N2O2
MW: 200.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight200.14
XLogP31.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass200.03973376
Monoisotopic Mass200.03973376
Topological Polar Surface Area50.4 Ų
Heavy Atom Count14
Formal Charge0
Complexity237
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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