[(6-chlorobenzotriazol-1-yl)oxy-(dimethylamino)methylidene]-dimethylazanium;hexafluorophosphate


Chemical Name: [(6-chlorobenzotriazol-1-yl)oxy-(dimethylamino)methylidene]-dimethylazanium;hexafluorophosphate
CAS Number: 330645-87-9
Product Number: AG003827(AGN-PC-068EW1)
Synonyms:
MDL No: MFCD04973268
Molecular Formula: C11H15ClF6N5OP
Molecular Weight: 413.6869

Identification/Properties


Computed Properties
Molecular Weight:
413.689g/mol
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
10
Rotatable Bond Count:
3
Exact Mass:
413.061g/mol
Monoisotopic Mass:
413.061g/mol
Topological Polar Surface Area:
46.2A^2
Heavy Atom Count:
25
Formal Charge:
0
Complexity:
381
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
2
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


PNMR/HCTU-330645-87-9-hnmr.pdf

Other Analytical Data


POTHER/HCTU-330645-87-9-hplc.pdf

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