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Pantoprazole Sodium Impurity U

CAT: 1299-RM-P201621-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-P201621-01Size:10 mg
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CAS Number
97963-75-2
Synonyms
N- (4- (difluoromethoxy) -2-nitrophenyl) acetamide
Molecular Formula
C9H8F2N2O4
Molecular Weight
246.17
Target Alternative Name
Pantoprazole
Product Name Synonym
N- (4- (difluoromethoxy) -2-nitrophenyl) acetamide

Chemical Information

N-(4-(Difluoromethoxy)-2-nitrophenyl)acetamide
CAS Number97963-75-2
PubChem CID15906033
IUPAC NameN-[4-(difluoromethoxy)-2-nitrophenyl]acetamide
Molecular FormulaC9H8F2N2O4
Molecular Weight246.17
XLogP2
Topological Polar Surface Area84.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count17
Formal Charge0
Complexity295
SMILES
CC(=O)NC1=C(C=C(C=C1)OC(F)F)[N+](=O)[O-]
InChI
InChI=1S/C9H8F2N2O4/c1-5(14)12-7-3-2-6(17-9(10)11)4-8(7)13(15)16/h2-4,9H,1H3,(H,12,14)
InChIKey
QEQJDPGRNSQLFI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(4-(Difluoromethoxy)-2-nitrophenyl)acetamide
CAS: 97963-75-2
CID: 15906033
Formula: C9H8F2N2O4
MW: 246.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight246.17
XLogP32
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass246.04521306
Monoisotopic Mass246.04521306
Topological Polar Surface Area84.2 Ų
Heavy Atom Count17
Formal Charge0
Complexity295
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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