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158012-47-6 | Ethanol, 2-[(2-amino-6-fluoro-9H-purin-9-yl)methoxy]-
CAS No: 158012-47-6 Catalog No: AG001PWO MDL No:
Product Description
Catalog Number:
AG001PWO
Chemical Name:
Ethanol, 2-[(2-amino-6-fluoro-9H-purin-9-yl)methoxy]-
CAS Number:
158012-47-6
Molecular Formula:
C8H10FN5O2
Molecular Weight:
227.1957
IUPAC Name:
2-[(2-amino-6-fluoropurin-9-yl)methoxy]ethanol
InChI:
InChI=1S/C8H10FN5O2/c9-6-5-7(13-8(10)12-6)14(3-11-5)4-16-2-1-15/h3,15H,1-2,4H2,(H2,10,12,13)
InChI Key:
XNIAXCAXAFJANK-UHFFFAOYSA-N
SMILES:
OCCOCn1cnc2c1nc(N)nc2F
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.082g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
227.199g/mol
Monoisotopic Mass:
227.082g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
99.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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