Home Halogens 8-bromo-6-chloro-9H-purine

8-bromo-6-chloro-9H-purine

CAS No.:
914220-07-8
Catalog Number:
AG00H16M
Molecular Formula:
C5H2BrClN4
Molecular Weight:
233.4532
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Product Description
Catalog Number:
AG00H16M
Chemical Name:
8-bromo-6-chloro-9H-purine
CAS Number:
914220-07-8
Molecular Formula:
C5H2BrClN4
Molecular Weight:
233.4532
IUPAC Name:
8-bromo-6-chloro-7H-purine
InChI:
InChI=1S/C5H2BrClN4/c6-5-10-2-3(7)8-1-9-4(2)11-5/h1H,(H,8,9,10,11)
InChI Key:
CNMGUMAFDFJHRV-UHFFFAOYSA-N
SMILES:
Brc1nc2c([nH]1)ncnc2Cl
Properties
Complexity:
157  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.915g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
233.453g/mol
Monoisotopic Mass:
231.915g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties