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18203-98-0 | Ethanol, 2,2'-[[p-(6-chloro-9H-purin-9-yl)phenyl]imino]di- (8CI)
CAS No: 18203-98-0 Catalog No: AG0023AH MDL No:
Product Description
Catalog Number:
AG0023AH
Chemical Name:
Ethanol, 2,2'-[[p-(6-chloro-9H-purin-9-yl)phenyl]imino]di- (8CI)
CAS Number:
18203-98-0
Molecular Formula:
C15H16ClN5O2
Molecular Weight:
333.7728
IUPAC Name:
2-[4-(6-chloropurin-9-yl)-N-(2-hydroxyethyl)anilino]ethanol
InChI:
InChI=1S/C15H16ClN5O2/c16-14-13-15(18-9-17-14)21(10-19-13)12-3-1-11(2-4-12)20(5-7-22)6-8-23/h1-4,9-10,22-23H,5-8H2
InChI Key:
CTMWXCRTIFAYGU-UHFFFAOYSA-N
SMILES:
OCCN(c1ccc(cc1)n1cnc2c1ncnc2Cl)CCO
NSC Number:
100122
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.099g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
333.776g/mol
Monoisotopic Mass:
333.099g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
87.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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