Home Halogens 7-benzyl-2,6-dichloro-7H-purine

7-benzyl-2,6-dichloro-7H-purine

CAS No.:
56025-87-7
Catalog Number:
AG003NDA
Molecular Formula:
C12H8Cl2N4
Molecular Weight:
279.1247
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Product Description
Catalog Number:
AG003NDA
Chemical Name:
7-benzyl-2,6-dichloro-7H-purine
CAS Number:
56025-87-7
Molecular Formula:
C12H8Cl2N4
Molecular Weight:
279.1247
MDL Number:
MFCD06619395
IUPAC Name:
7-benzyl-2,6-dichloropurine
InChI:
InChI=1S/C12H8Cl2N4/c13-10-9-11(17-12(14)16-10)15-7-18(9)6-8-4-2-1-3-5-8/h1-5,7H,6H2
InChI Key:
XRCTVEFABOUQNI-UHFFFAOYSA-N
SMILES:
Clc1nc(Cl)c2c(n1)ncn2Cc1ccccc1
NSC Number:
57005
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:
3.6  
Properties