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100859-35-6 | 9H-Purine, 6-chloro-2-methyl-
CAS No: 100859-35-6 Catalog No: AG000315 MDL No:
Product Description
Catalog Number:
AG000315
Chemical Name:
9H-Purine, 6-chloro-2-methyl-
CAS Number:
100859-35-6
Molecular Formula:
C6H5ClN4
Molecular Weight:
168.5837
IUPAC Name:
6-chloro-2-methyl-7H-purine
InChI:
InChI=1S/C6H5ClN4/c1-3-10-5(7)4-6(11-3)9-2-8-4/h2H,1H3,(H,8,9,10,11)
InChI Key:
KKTMNZXPLHVDBC-UHFFFAOYSA-N
SMILES:
Cc1nc(Cl)c2c(n1)[nH]cn2
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.02g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
168.584g/mol
Monoisotopic Mass:
168.02g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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