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2,8-dichloro-9H-purine

2,8-dichloro-9H-purine

CAS: 89166-91-6

Formula: C5H2Cl2N4

SMILES: ClC1=NC2=CN=C(Cl)N=C2N1

IUPAC: 2,8-dichloro-9H-purine

InChI: InChI=1S/C5H2Cl2N4/c6-4-8-1-2-3(10-4)11-5(7)9-2/h1H,(H,8,9,10,11)

Composition: C (31.78%), H (1.07%), Cl (37.51%), N (29.64%)

Molar Mass: 189

Atom Count: 13

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 187.9656515
Formal Charge 0
FSP3 0
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey XDLJIIILKATPAQ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 42.11
Topological Polar Surface Area 54.46
Polarizability 16.29
Ring Count 2
Rotatable Bond Count 0

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Purity LeadTime CAS PacketSize UnitPrice
97% <6 Days 89166-91-6 $281.75-$3,381.00$281.75$450.80$752.10$1,127.00$3,381.00
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Purity LeadTime CAS PacketSize UnitPrice
97% <7 Days 89166-91-6 $300.15-$479.21$300.15$479.21
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97% <5 Days 89166-91-6 $315.25-$3,896.49$315.25$504.40$867.57$1,298.83$3,896.49
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