Home Halogens Ethyl 2-(2,6-dichloro-9h-purin-9-yl)acetate

Ethyl 2-(2,6-dichloro-9h-purin-9-yl)acetate

CAS No.:
171827-50-2
Catalog Number:
AG01EFNQ
Molecular Formula:
C9H8Cl2N4O2
Molecular Weight:
275.0914
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Product Description
Catalog Number:
AG01EFNQ
Chemical Name:
Ethyl 2-(2,6-dichloro-9h-purin-9-yl)acetate
CAS Number:
171827-50-2
Molecular Formula:
C9H8Cl2N4O2
Molecular Weight:
275.0914
MDL Number:
MFCD30471974
IUPAC Name:
ethyl 2-(2,6-dichloropurin-9-yl)acetate
InChI:
InChI=1S/C9H8Cl2N4O2/c1-2-17-5(16)3-15-4-12-6-7(10)13-9(11)14-8(6)15/h4H,2-3H2,1H3
InChI Key:
CTFNNRKKJAICKH-UHFFFAOYSA-N
SMILES:
CCOC(=O)Cn1cnc2c1nc(Cl)nc2Cl
Properties
Complexity:
294  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.002g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
275.089g/mol
Monoisotopic Mass:
274.002g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
69.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties