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2346-73-8 | 9H-Purine, 2-chloro-9-methyl-
CAS No: 2346-73-8 Catalog No: AG002NC9 MDL No:MFCD07440150
Product Description
Catalog Number:
AG002NC9
Chemical Name:
9H-Purine, 2-chloro-9-methyl-
CAS Number:
2346-73-8
Molecular Formula:
C6H5ClN4
Molecular Weight:
168.5837
MDL Number:
MFCD07440150
IUPAC Name:
2-chloro-9-methylpurine
InChI:
InChI=1S/C6H5ClN4/c1-11-3-9-4-2-8-6(7)10-5(4)11/h2-3H,1H3
InChI Key:
AMVDDOZWEOPXRR-UHFFFAOYSA-N
SMILES:
Clc1ncc2c(n1)n(C)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:
0
Isotope Atom Count:
0
Molecular Weight:
168.584g/mol
Monoisotopic Mass:
168.02g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
43.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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