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84003-58-7 | 9H-Purine,2-fluoro-9-(phenylmethyl)-
CAS No: 84003-58-7 Catalog No: AG004U8L MDL No:
Product Description
Catalog Number:
AG004U8L
Chemical Name:
9H-Purine,2-fluoro-9-(phenylmethyl)-
CAS Number:
84003-58-7
Molecular Formula:
C12H9FN4
Molecular Weight:
228.2251
IUPAC Name:
9-benzyl-2-fluoropurine
InChI:
InChI=1S/C12H9FN4/c13-12-14-6-10-11(16-12)17(8-15-10)7-9-4-2-1-3-5-9/h1-6,8H,7H2
InChI Key:
KXTNURUOEPAGMZ-UHFFFAOYSA-N
SMILES:
Fc1ncc2c(n1)n(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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