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1404364-58-4 | 1-(4-bromophenyl)-6-mercapto-1H-pyrazolo[3,4-d]pyrimidin-4-ol
CAS No: 1404364-58-4 Catalog No: AG01FFSN MDL No:
Product Description
Catalog Number:
AG01FFSN
Chemical Name:
1-(4-bromophenyl)-6-mercapto-1H-pyrazolo[3,4-d]pyrimidin-4-ol
CAS Number:
1404364-58-4
IUPAC Name:
1-(4-bromophenyl)-6-sulfanylidene-7H-pyrazolo[3,4-d]pyrimidin-4-one
InChI:
InChI=1S/C11H7BrN4OS/c12-6-1-3-7(4-2-6)16-9-8(5-13-16)10(17)15-11(18)14-9/h1-5H,(H2,14,15,17,18)
InChI Key:
XUUOBTWYXDALAT-UHFFFAOYSA-N
Properties
Complexity:
372
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.952g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
323.168g/mol
Monoisotopic Mass:
321.952g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
91A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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