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100644-65-3 | 1H-Pyrazolo[3,4-d]pyrimidin-6-amine, 4-chloro-
CAS No: 100644-65-3 Catalog No: AG0002K8 MDL No:MFCD08059805
Product Description
Catalog Number:
AG0002K8
Chemical Name:
1H-Pyrazolo[3,4-d]pyrimidin-6-amine, 4-chloro-
CAS Number:
100644-65-3
Molecular Formula:
C5H4ClN5
Molecular Weight:
169.5718
MDL Number:
MFCD08059805
IUPAC Name:
4-chloro-1H-pyrazolo[3,4-d]pyrimidin-6-amine
InChI:
InChI=1S/C5H4ClN5/c6-3-2-1-8-11-4(2)10-5(7)9-3/h1H,(H3,7,8,9,10,11)
InChI Key:
ASKOHPBJRRSUSJ-UHFFFAOYSA-N
SMILES:
Nc1nc(Cl)c2c(n1)[nH]nc2
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.016g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
169.572g/mol
Monoisotopic Mass:
169.016g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
80.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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