Home Halogens ethyl 2,6-dichloro-9H-purine-8-carboxylate

ethyl 2,6-dichloro-9H-purine-8-carboxylate

CAS No.:
2089972-52-9
Catalog Number:
AG01ELEM
Molecular Formula:
C8H6Cl2N4O2
Molecular Weight:
261.0648
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01ELEM
Chemical Name:
ethyl 2,6-dichloro-9H-purine-8-carboxylate
CAS Number:
2089972-52-9
Molecular Formula:
C8H6Cl2N4O2
Molecular Weight:
261.0648
IUPAC Name:
ethyl 2,6-dichloro-7H-purine-8-carboxylate
InChI:
InChI=1S/C8H6Cl2N4O2/c1-2-16-7(15)6-11-3-4(9)12-8(10)14-5(3)13-6/h2H2,1H3,(H,11,12,13,14)
InChI Key:
ALDFCVOYZYHPND-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1nc2c([nH]1)nc(nc2Cl)Cl
Properties
Complexity:
281  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.987g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
261.062g/mol
Monoisotopic Mass:
259.987g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
80.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties