Phenol, 2-[[[2-chloro-9-(1-methylethyl)-9H-purin-6-yl]amino]methyl]-


Chemical Name: Phenol, 2-[[[2-chloro-9-(1-methylethyl)-9H-purin-6-yl]amino]methyl]-
CAS Number: 500568-72-9
Product Number: AG00DFIH(AGN-PC-0NAV9H)
Synonyms:
MDL No:
Molecular Formula: C15H16ClN5O
Molecular Weight: 317.77344

Identification/Properties


Computed Properties
Molecular Weight:
317.777g/mol
XLogP3:
3.2
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
4
Exact Mass:
317.104g/mol
Monoisotopic Mass:
317.104g/mol
Topological Polar Surface Area:
75.9A^2
Heavy Atom Count:
22
Formal Charge:
0
Complexity:
372
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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