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23000-47-7 | 1H-Pyrazolo[3,4-d]pyrimidine, 4-chloro-1-(4-methylphenyl)-
CAS No: 23000-47-7 Catalog No: AG002LTA MDL No:
Product Description
Catalog Number:
AG002LTA
Chemical Name:
1H-Pyrazolo[3,4-d]pyrimidine, 4-chloro-1-(4-methylphenyl)-
CAS Number:
23000-47-7
Molecular Formula:
C12H9ClN4
Molecular Weight:
244.6797
IUPAC Name:
4-chloro-1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidine
InChI:
InChI=1S/C12H9ClN4/c1-8-2-4-9(5-3-8)17-12-10(6-16-17)11(13)14-7-15-12/h2-7H,1H3
InChI Key:
JJCDCMDVPYDUEU-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)n1ncc2c1ncnc2Cl
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.052g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.682g/mol
Monoisotopic Mass:
244.052g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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