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142287-75-0 | 9H-Purine, 6-chloro-9-(4-methoxyphenyl)-2-methyl-
CAS No: 142287-75-0 Catalog No: AG001I4A MDL No:
Product Description
Catalog Number:
AG001I4A
Chemical Name:
9H-Purine, 6-chloro-9-(4-methoxyphenyl)-2-methyl-
CAS Number:
142287-75-0
Molecular Formula:
C13H11ClN4O
Molecular Weight:
274.7056
IUPAC Name:
6-chloro-9-(4-methoxyphenyl)-2-methylpurine
InChI:
InChI=1S/C13H11ClN4O/c1-8-16-12(14)11-13(17-8)18(7-15-11)9-3-5-10(19-2)6-4-9/h3-7H,1-2H3
InChI Key:
IDRVHOZEGBRMBH-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)n1cnc2c1nc(C)nc2Cl
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.062g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.708g/mol
Monoisotopic Mass:
274.062g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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