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1148003-35-3 | 9H-Purine, 2-chloro-9-Methyl-6-(4-Morpholinyl)-
CAS No: 1148003-35-3 Catalog No: AG000F8Y MDL No:MFCD22581537
Product Description
Catalog Number:
AG000F8Y
Chemical Name:
9H-Purine, 2-chloro-9-Methyl-6-(4-Morpholinyl)-
CAS Number:
1148003-35-3
Molecular Formula:
C10H12ClN5O
Molecular Weight:
253.6882
MDL Number:
MFCD22581537
IUPAC Name:
4-(2-chloro-9-methylpurin-6-yl)morpholine
InChI:
InChI=1S/C10H12ClN5O/c1-15-6-12-7-8(15)13-10(11)14-9(7)16-2-4-17-5-3-16/h6H,2-5H2,1H3
InChI Key:
BJALAVZIHBUVDW-UHFFFAOYSA-N
SMILES:
Clc1nc(N2CCOCC2)c2c(n1)n(C)cn2
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.073g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.69g/mol
Monoisotopic Mass:
253.073g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
56.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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