Home Halogens 7H-Purine, 2,6,8-trichloro-7-(phenylmethyl)-

7H-Purine, 2,6,8-trichloro-7-(phenylmethyl)-

CAS No.:
93702-69-3
Catalog Number:
AG006EN0
Molecular Formula:
C12H7Cl3N4
Molecular Weight:
313.5698
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Product Description
Catalog Number:
AG006EN0
Chemical Name:
7H-Purine, 2,6,8-trichloro-7-(phenylmethyl)-
CAS Number:
93702-69-3
Molecular Formula:
C12H7Cl3N4
Molecular Weight:
313.5698
MDL Number:
MFCD00540538
IUPAC Name:
7-benzyl-2,6,8-trichloropurine
InChI:
InChI=1S/C12H7Cl3N4/c13-9-8-10(17-11(14)16-9)18-12(15)19(8)6-7-4-2-1-3-5-7/h1-5H,6H2
InChI Key:
RKGPRIMGGTXGGX-UHFFFAOYSA-N
SMILES:
Clc1nc(Cl)c2c(n1)nc(n2Cc1ccccc1)Cl
Properties
Complexity:
313  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.974g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
313.566g/mol
Monoisotopic Mass:
311.974g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
43.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5  
Properties