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839725-89-2 | 3-(6-amino-8-bromo-9H-purin-9-yl)propyl acetate
CAS No: 839725-89-2 Catalog No: AG01FFUK MDL No:
Product Description
Catalog Number:
AG01FFUK
Chemical Name:
3-(6-amino-8-bromo-9H-purin-9-yl)propyl acetate
CAS Number:
839725-89-2
IUPAC Name:
3-(6-amino-8-bromopurin-9-yl)propyl acetate
InChI:
InChI=1S/C10H12BrN5O2/c1-6(17)18-4-2-3-16-9-7(15-10(16)11)8(12)13-5-14-9/h5H,2-4H2,1H3,(H2,12,13,14)
InChI Key:
PKRHWDYXMVSYJL-UHFFFAOYSA-N
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.017g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
314.143g/mol
Monoisotopic Mass:
313.017g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
95.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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