Home Halogens 6-chloro-2-fluoro-9-isopropyl-9H-purine

6-chloro-2-fluoro-9-isopropyl-9H-purine

CAS No.:
220696-58-2
Catalog Number:
AG01DJZ2
Molecular Formula:
C8H8ClFN4
Molecular Weight:
214.6273
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Product Description
Catalog Number:
AG01DJZ2
Chemical Name:
6-chloro-2-fluoro-9-isopropyl-9H-purine
CAS Number:
220696-58-2
Molecular Formula:
C8H8ClFN4
Molecular Weight:
214.6273
MDL Number:
MFCD12405616
IUPAC Name:
6-chloro-2-fluoro-9-propan-2-ylpurine
InChI:
InChI=1S/C8H8ClFN4/c1-4(2)14-3-11-5-6(9)12-8(10)13-7(5)14/h3-4H,1-2H3
InChI Key:
AISKFDFVSSENFX-UHFFFAOYSA-N
SMILES:
Fc1nc(Cl)c2c(n1)n(cn2)C(C)C
Properties
Complexity:
216  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.042g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.628g/mol
Monoisotopic Mass:
214.042g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
43.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties