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TPTU

CAT: 0926-FT03674-02Size: 0.1 KgDry Ice: NoHazardous: No
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CAT#:0926-FT03674-02Size:0.1 Kg
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CAS Number
125700-71-2
Synonyms
O- (2-Oxo-1 (2H) pyridyl) -N, N, N', N'-tetramethyluronium tetrafluoroborate; O- (1,2-Dihydro-2-oxo-1-pyridyl) -N, N, N'-N'-tetramethyluronium t etrafluoroborate
MDL Number
MFCD00075475
Smiles
[B-] (F) (F) (F) F.CN (C) C (=[N+] (C) C) ON1C=CC=CC1=O
Molecular Formula
C10H16BF4N3O2
Molecular Weight
297.06 g/mol
Controlled
No

Chemical Information

O-(2-Oxo-1(2H)-pyridyl)-N,N,N',N'-tetramethyluronium Tetrafluoroborate
CAS Number125700-71-2
PubChem CID2733204
IUPAC Name[dimethylamino-[(2-oxo-1-pyridinyl)oxy]methylidene]-dimethylazanium tetrafluoroborate
Molecular FormulaC10H16BF4N3O2
Molecular Weight297.06
Topological Polar Surface Area35.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count20
Formal Charge0
Complexity345
SMILES
[B-](F)(F)(F)F.CN(C)C(=[N+](C)C)ON1C=CC=CC1=O
InChI
InChI=1S/C10H16N3O2.BF4/c1-11(2)10(12(3)4)15-13-8-6-5-7-9(13)14;2-1(3,4)5/h5-8H,1-4H3;/q+1;-1
InChIKey
CZQGINAUZYECAI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of O-(2-Oxo-1(2H)-pyridyl)-N,N,N',N'-tetramethyluronium Tetrafluoroborate
CAS: 125700-71-2
CID: 2733204
Formula: C10H16BF4N3O2
MW: 297.06
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight297.06
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass297.1271696
Monoisotopic Mass297.1271696
Topological Polar Surface Area35.8 Ų
Heavy Atom Count20
Formal Charge0
Complexity345
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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