Home Halogens 2,6-dichloro-9-ethyl-9H-purine

2,6-dichloro-9-ethyl-9H-purine

CAS No.:
190655-14-2
Catalog Number:
AG01C0F7
Molecular Formula:
C7H6Cl2N4
Molecular Weight:
217.0553
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Product Description
Catalog Number:
AG01C0F7
Chemical Name:
2,6-dichloro-9-ethyl-9H-purine
CAS Number:
190655-14-2
Molecular Formula:
C7H6Cl2N4
Molecular Weight:
217.0553
MDL Number:
MFCD11047296
IUPAC Name:
2,6-dichloro-9-ethylpurine
InChI:
InChI=1S/C7H6Cl2N4/c1-2-13-3-10-4-5(8)11-7(9)12-6(4)13/h3H,2H2,1H3
InChI Key:
PRESUDAFHFFHLT-UHFFFAOYSA-N
SMILES:
CCn1cnc2c1nc(Cl)nc2Cl
Properties
Complexity:
191  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.997g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.053g/mol
Monoisotopic Mass:
215.997g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
43.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties