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168098-94-0 | 9H-Purin-2-amine, 6-[(3-fluorophenyl)methoxy]-
CAS No: 168098-94-0 Catalog No: AG001XT1 MDL No:
Product Description
Catalog Number:
AG001XT1
Chemical Name:
9H-Purin-2-amine, 6-[(3-fluorophenyl)methoxy]-
CAS Number:
168098-94-0
Molecular Formula:
C12H10FN5O
Molecular Weight:
259.2391
IUPAC Name:
6-[(3-fluorophenyl)methoxy]-7H-purin-2-amine
InChI:
InChI=1S/C12H10FN5O/c13-8-3-1-2-7(4-8)5-19-11-9-10(16-6-15-9)17-12(14)18-11/h1-4,6H,5H2,(H3,14,15,16,17,18)
InChI Key:
YXDVZNPTJFVUCB-UHFFFAOYSA-N
SMILES:
Fc1cccc(c1)COc1nc(N)nc2c1nc[nH]2
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.087g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
259.244g/mol
Monoisotopic Mass:
259.087g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
89.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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