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CAT: 0607-A6772-100000Size: 100 gDry Ice: NoHazardous: No
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CAT#:0607-A6772-100000Size:100 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
330641-16-2
Product Name Alternative
[(6-chlorobenzotriazol-1-yl)oxy-(dimethylamino)methylidene]-dimethylazanium;tetrafluoroborate
Purity
0.98
Smiles
[B-](F)(F)(F)F.CN(C)C(=[N+](C)C)ON1C2=C(C=CC(=C2)Cl)N=N1
Molecular Formula
C11H15BClF4N5O
Molecular Weight
355.53
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

O-(6-Chlorobenzotriazol-1-yl)-N,N,N',N'-tetramethyluronium Tetrafluoroborate
CAS Number330641-16-2
PubChem CID24898642
IUPAC Name[(6-chlorobenzotriazol-1-yl)oxy-(dimethylamino)methylidene]-dimethylazanium tetrafluoroborate
Molecular FormulaC11H15BClF4N5O
Molecular Weight355.53
Topological Polar Surface Area46.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Heavy Atom Count23
Formal Charge0
Complexity337
SMILES
[B-](F)(F)(F)F.CN(C)C(=[N+](C)C)ON1C2=C(C=CC(=C2)Cl)N=N1
InChI
InChI=1S/C11H15ClN5O.BF4/c1-15(2)11(16(3)4)18-17-10-7-8(12)5-6-9(10)13-14-17;2-1(3,4)5/h5-7H,1-4H3;/q+1;-1
InChIKey
GBGVQFJZGHBZMC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of O-(6-Chlorobenzotriazol-1-yl)-N,N,N',N'-tetramethyluronium Tetrafluoroborate
CAS: 330641-16-2
CID: 24898642
Formula: C11H15BClF4N5O
MW: 355.53
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight355.53
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Exact Mass355.0994306
Monoisotopic Mass355.0994306
Topological Polar Surface Area46.2 Ų
Heavy Atom Count23
Formal Charge0
Complexity337
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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