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115204-72-3 | 9H-Purine, 2,6-dichloro-9-[(4-chlorophenyl)methyl]-
CAS No: 115204-72-3 Catalog No: AG000GF9 MDL No:
Product Description
Catalog Number:
AG000GF9
Chemical Name:
9H-Purine, 2,6-dichloro-9-[(4-chlorophenyl)methyl]-
CAS Number:
115204-72-3
Molecular Formula:
C12H7Cl3N4
Molecular Weight:
313.5698
IUPAC Name:
2,6-dichloro-9-[(4-chlorophenyl)methyl]purine
InChI:
InChI=1S/C12H7Cl3N4/c13-8-3-1-7(2-4-8)5-19-6-16-9-10(14)17-12(15)18-11(9)19/h1-4,6H,5H2
InChI Key:
IIURLOMFGCXJOV-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)Cn1cnc2c1nc(Cl)nc2Cl
Properties
Complexity:
311
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:
4.2
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