[3-[(9-benzyl-2-chloropurin-6-yl)amino]phenyl] propanoate
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![[3-[(9-benzyl-2-chloropurin-6-yl)amino]phenyl] propanoate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/3657ee5e4954492f9e93048dce37fdc4.png "[3-[(9-benzyl-2-chloropurin-6-yl)amino]phenyl] propanoate")
[3-[(9-benzyl-2-chloropurin-6-yl)amino]phenyl] propanoate
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CAS No:
125802-60-0
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Formula:
C21H18ClN5O2
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Chemical Name:
[3-[(9-benzyl-2-chloropurin-6-yl)amino]phenyl] propanoate
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Synonyms:
Phenol,3-[[2-chloro-9-(phenylmethyl)-9H-purin-6-yl]amino]-,propanoate (ester);
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CAS No:
Computed Properties
Molecular Weight:407.9
XLogP3:4.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:407.1149025
Monoisotopic Mass:407.1149025
Topological Polar Surface Area:81.9
Heavy Atom Count:29
Complexity:547
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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