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1313026-86-6 | 9H-Purine, 2,6-dichloro-8-methyl-9-(1-methylethyl)-
CAS No: 1313026-86-6 Catalog No: AG000VW2 MDL No:MFCD18432767
Product Description
Catalog Number:
AG000VW2
Chemical Name:
9H-Purine, 2,6-dichloro-8-methyl-9-(1-methylethyl)-
CAS Number:
1313026-86-6
Molecular Formula:
C9H10Cl2N4
Molecular Weight:
245.1085
MDL Number:
MFCD18432767
IUPAC Name:
2,6-dichloro-8-methyl-9-propan-2-ylpurine
InChI:
InChI=1S/C9H10Cl2N4/c1-4(2)15-5(3)12-6-7(10)13-9(11)14-8(6)15/h4H,1-3H3
InChI Key:
CAZPSBRBADZWAY-UHFFFAOYSA-N
SMILES:
Clc1nc(Cl)c2c(n1)n(C(C)C)c(n2)C
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.028g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.107g/mol
Monoisotopic Mass:
244.028g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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