N6-(3-Fluorobenzyl)adenine - CAS 525608-36-0
Catalog: |
BB056079 |
Product Name: |
N6-(3-Fluorobenzyl)adenine |
CAS: |
525608-36-0 |
Synonyms: |
N-(3-fluorophenyl)-9H-purin-6-amine; N-(3-fluorophenyl)-7H-purin-6-amine |
IUPAC Name: | N-(3-fluorophenyl)-7H-purin-6-amine |
Molecular Weight: | 229.21 |
Molecular Formula: | C11H8FN5 |
Canonical SMILES: | C1=CC(=CC(=C1)F)NC2=NC=NC3=C2NC=N3 |
InChI: | InChI=1S/C11H8FN5/c12-7-2-1-3-8(4-7)17-11-9-10(14-5-13-9)15-6-16-11/h1-6H,(H2,13,14,15,16,17) |
InChI Key: | WYLXIAAXCHOARG-UHFFFAOYSA-N |
Complexity: | 264 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 229.07637344 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 229.07637344 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 66.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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