Home Other Building Blocks 6-Chloro-7-(2-Fluorobenzyl)-7H-Purine

6-Chloro-7-(2-Fluorobenzyl)-7H-Purine

CAS No.:
850792-28-8
Catalog Number:
AG01DI3N
Molecular Formula:
C12H8ClFN4
Molecular Weight:
262.6701
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Product Description
Catalog Number:
AG01DI3N
Chemical Name:
6-Chloro-7-(2-Fluorobenzyl)-7H-Purine
CAS Number:
850792-28-8
Molecular Formula:
C12H8ClFN4
Molecular Weight:
262.6701
MDL Number:
MFCD30472041
IUPAC Name:
6-chloro-7-[(2-fluorophenyl)methyl]purine
InChI:
InChI=1S/C12H8ClFN4/c13-11-10-12(16-6-15-11)17-7-18(10)5-8-3-1-2-4-9(8)14/h1-4,6-7H,5H2
InChI Key:
IGRIBNIKPCDBGY-UHFFFAOYSA-N
SMILES:
Fc1ccccc1Cn1cnc2c1c(Cl)ncn2
Properties
Complexity:
293  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.042g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
262.672g/mol
Monoisotopic Mass:
262.042g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
43.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties