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7H-purine-2-sulfonyl Fluoride

HCID 3930671
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Basic information

CAS
1869-08-5
Standard SMILES
O=S(=O)(F)c1ncc2[nH]cnc2n1
InChIKey
NZSCEETXIUKPSW-UHFFFAOYSA-N
Molecular formula
C5H3FN4O2S
Average molar mass
202.17 g/mol
Monoisotopic mass
201.99607469

Names & identifiers

Preferred name
7H-purine-2-sulfonyl Fluoride
IUPAC
7H-purine-2-sulfonyl fluoride

Names & synonyms

1869-08-57H-purine-2-sulfonyl FluoridePurine-2-sulfonyl fluoride5H-purine-2-sulfonyl fluorideDTXSID20398037NSC55465NSC-55465DS-008989

Database identifiers

CAS
1869-08-5
PubChem CID
3930671
DTXSID
DTXSID20398037

Properties

Computed structural properties

XLogP
0.2
Topological polar surface area
97 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
1
Heavy atoms
13
Formal charge
0
Complexity
289

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