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TATU

CAT: 0926-FT15575-05Size: 0.25 kgDry Ice: NoHazardous: No
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CAT#:0926-FT15575-05Size:0.25 kg
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CAS Number
873798-09-5
Synonyms
1-[Bis (dimethylamino) methylene]-1H-1,2,3-triazolo[4,5-b]pyridinium 3-oxide tetrafluoroborate; O- (7-Azabenzotriazole-1-yl) -N, N, N', N'-t etramethyluronium tetrafluoroborate;2- (7-Azabenzotriazole-1-yl) -1,1,3,3-tetramethyluronium tetrafluoroborate
MDL Number
MFCD08064301
Smiles
[B-] (F) (F) (F) F.CN (C) C (=[N+] (C) C) ON1C2=C (C=CC=N2) N=N1
Molecular Formula
C10H15N6OBF4
Molecular Weight
322.07 g/mol
Controlled
No

Chemical Information

O-(7-Azabenzotriazol-1-yl)-N,N,N',N'-tetramethyluronium Tetrafluoroborate
CAS Number873798-09-5
PubChem CID11099301
IUPAC Name[dimethylamino(triazolo[4,5-b]pyridin-3-yloxy)methylidene]-dimethylazanium tetrafluoroborate
Molecular FormulaC10H15BF4N6O
Molecular Weight322.07
Topological Polar Surface Area59.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Heavy Atom Count22
Formal Charge0
Complexity307
SMILES
[B-](F)(F)(F)F.CN(C)C(=[N+](C)C)ON1C2=C(C=CC=N2)N=N1
InChI
InChI=1S/C10H15N6O.BF4/c1-14(2)10(15(3)4)17-16-9-8(12-13-16)6-5-7-11-9;2-1(3,4)5/h5-7H,1-4H3;/q+1;-1
InChIKey
AUPDFAPCZZXFMX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of O-(7-Azabenzotriazol-1-yl)-N,N,N',N'-tetramethyluronium Tetrafluoroborate
CAS: 873798-09-5
CID: 11099301
Formula: C10H15BF4N6O
MW: 322.07
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight322.07
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Exact Mass322.1336519
Monoisotopic Mass322.1336519
Topological Polar Surface Area59.1 Ų
Heavy Atom Count22
Formal Charge0
Complexity307
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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Alternative Products

CatalogName
PC902639-01TATU
67943083-5gO- (7-Azabenzotriazol-1-yl) -N, N, N, N-tetramethyluronium tetrafluoroborate (TATU)

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