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1513-63-9 | 9H-Purine-6-sulfonyl fluoride
CAS No: 1513-63-9 Catalog No: AG001N9O MDL No:MFCD20483410
Product Description
Catalog Number:
AG001N9O
Chemical Name:
9H-Purine-6-sulfonyl fluoride
CAS Number:
1513-63-9
Molecular Formula:
C5H3FN4O2S
Molecular Weight:
202.1663
MDL Number:
MFCD20483410
IUPAC Name:
7H-purine-6-sulfonyl fluoride
InChI:
InChI=1S/C5H3FN4O2S/c6-13(11,12)5-3-4(8-1-7-3)9-2-10-5/h1-2H,(H,7,8,9,10)
InChI Key:
FWHCGYKYNIYIHJ-UHFFFAOYSA-N
SMILES:
FS(=O)(=O)c1ncnc2c1nc[nH]2
NSC Number:
48716
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.996g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
202.163g/mol
Monoisotopic Mass:
201.996g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
97A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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