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2-chloro-6-(pyrrolidin-1-yl)-7H-purine

2-chloro-6-(pyrrolidin-1-yl)-7H-purine

Formula: C9H10ClN5

SMILES: ClC1=NC(N2CCCC2)=C2NC=NC2=N1

IUPAC: 2-chloro-6-(pyrrolidin-1-yl)-7H-purine

InChI: InChI=1S/C9H10ClN5/c10-9-13-7-6(11-5-12-7)8(14-9)15-3-1-2-4-15/h5H,1-4H2,(H,11,12,13,14)

Composition: C (48.33%), H (4.51%), Cl (15.85%), N (31.31%)

Molar Mass: 223.66

Atom Count: 25

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 223.062473
Formal Charge 0
FSP3 0.44
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey IJNYLLRNMGTTEC-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 60.99
Topological Polar Surface Area 57.7
Polarizability 22.01
Ring Count 3
Rotatable Bond Count 1

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OTAVA LTD.
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Purity LeadTime Formula PacketSize UnitPrice
95% <10 Days C9H10ClN5 $351.90-$589.43$351.90$398.82$494.62$589.43
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98% <10 Days C9H10ClN5 Quote Only
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