Home Halogens 9-Benzyl-2,6-dichloro-9H-purine

9-Benzyl-2,6-dichloro-9H-purine

CAS No.:
79064-26-9
Catalog Number:
AG0053VW
Molecular Formula:
C12H8Cl2N4
Molecular Weight:
279.1247
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Product Description
Catalog Number:
AG0053VW
Chemical Name:
9-Benzyl-2,6-dichloro-9H-purine
CAS Number:
79064-26-9
Molecular Formula:
C12H8Cl2N4
Molecular Weight:
279.1247
MDL Number:
MFCD11047303
IUPAC Name:
9-benzyl-2,6-dichloropurine
InChI:
InChI=1S/C12H8Cl2N4/c13-10-9-11(17-12(14)16-10)18(7-15-9)6-8-4-2-1-3-5-8/h1-5,7H,6H2
InChI Key:
CUYCHULDTCBWLI-UHFFFAOYSA-N
SMILES:
Clc1nc(Cl)c2c(n1)n(cn2)Cc1ccccc1
NSC Number:
39321
Properties
Complexity:
285  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.013g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.124g/mol
Monoisotopic Mass:
278.013g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
43.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4  
Properties