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Home > Fluorides > 150721-87-2
150721-87-2 | 7H-Purine, 6-fluoro-7-(phenylmethyl)-
CAS No: 150721-87-2 Catalog No: AG001MTS MDL No:
Product Description
Catalog Number:
AG001MTS
Chemical Name:
7H-Purine, 6-fluoro-7-(phenylmethyl)-
CAS Number:
150721-87-2
Molecular Formula:
C12H9FN4
Molecular Weight:
228.2251
IUPAC Name:
7-benzyl-6-fluoropurine
InChI:
InChI=1S/C12H9FN4/c13-11-10-12(15-7-14-11)16-8-17(10)6-9-4-2-1-3-5-9/h1-5,7-8H,6H2
InChI Key:
IHGLFBAXMWGJOZ-UHFFFAOYSA-N
SMILES:
Fc1ncnc2c1n(cn2)Cc1ccccc1
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.081g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.23g/mol
Monoisotopic Mass:
228.081g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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