7-amino-2',7'-difluoro-3',6'-dihydroxy-6-(methylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one


Chemical Name: 7-amino-2',7'-difluoro-3',6'-dihydroxy-6-(methylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one
CAS Number: 254109-20-1
Product Number: AG00BCJM(AGN-PC-0N4CUM)
Synonyms:
MDL No:
Molecular Formula: C21H14F2N2O5
Molecular Weight: 412.3430664

Identification/Properties


Computed Properties
Molecular Weight:
412.349g/mol
XLogP3:
3.5
Hydrogen Bond Donor Count:
4
Hydrogen Bond Acceptor Count:
9
Rotatable Bond Count:
1
Exact Mass:
412.087g/mol
Monoisotopic Mass:
412.087g/mol
Topological Polar Surface Area:
114A^2
Heavy Atom Count:
30
Formal Charge:
0
Complexity:
668
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:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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