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16208-00-7 | Benzeneethanol, 4-[6-[(4-chlorophenyl)amino]-9H-purin-9-yl]-
CAS No: 16208-00-7 Catalog No: AG001SPO MDL No:
Product Description
Catalog Number:
AG001SPO
Chemical Name:
Benzeneethanol, 4-[6-[(4-chlorophenyl)amino]-9H-purin-9-yl]-
CAS Number:
16208-00-7
Molecular Formula:
C19H16ClN5O
Molecular Weight:
365.8162
IUPAC Name:
2-[4-[6-(4-chloroanilino)purin-9-yl]phenyl]ethanol
InChI:
InChI=1S/C19H16ClN5O/c20-14-3-5-15(6-4-14)24-18-17-19(22-11-21-18)25(12-23-17)16-7-1-13(2-8-16)9-10-26/h1-8,11-12,26H,9-10H2,(H,21,22,24)
InChI Key:
WZKFCWOSEBSMCM-UHFFFAOYSA-N
SMILES:
OCCc1ccc(cc1)n1cnc2c1ncnc2Nc1ccc(cc1)Cl
NSC Number:
87695
Properties
Complexity:
440
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
365.104g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
365.821g/mol
Monoisotopic Mass:
365.104g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
75.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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