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123201-00-3 | 9H-Purine, 6-chloro-9-(4-methylphenyl)-
CAS No: 123201-00-3 Catalog No: AG000K67 MDL No:
Product Description
Catalog Number:
AG000K67
Chemical Name:
9H-Purine, 6-chloro-9-(4-methylphenyl)-
CAS Number:
123201-00-3
Molecular Formula:
C12H9ClN4
Molecular Weight:
244.6797
IUPAC Name:
6-chloro-9-(4-methylphenyl)purine
InChI:
InChI=1S/C12H9ClN4/c1-8-2-4-9(5-3-8)17-7-16-10-11(13)14-6-15-12(10)17/h2-7H,1H3
InChI Key:
LHJDQEDPBWFXPC-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)n1cnc2c1ncnc2Cl
NSC Number:
82637
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
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