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7-[1-(2,6-dichlorophenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

7-[1-(2,6-dichlorophenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

CAS: 477865-30-8

Formula: C13H11Cl2N5O

SMILES: CC(OC1=C(Cl)C=CC=C1Cl)C1=CC=NC2=NC(N)=NN12

IUPAC: 7-[1-(2,6-dichlorophenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

InChI: InChI=1/C13H11Cl2N5O/c1-7(21-11-8(14)3-2-4-9(11)15)10-5-6-17-13-18-12(16)19-20(10)13/h2-7H,1H3,(H2,16,19)

Composition: C (48.17%), H (3.42%), Cl (21.87%), N (21.60%), O (4.94%)

Molar Mass: 324.17

Atom Count: 32

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 1
Exact Mass 323.0340654
Formal Charge 0
FSP3 0.15
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey BZOGUTPVKPQHHA-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 93.23
Topological Polar Surface Area 78.33
Polarizability 30.48
Ring Count 3
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 477865-30-8 $51.35-$1,347.05$51.35$63.37$86.31$292.79$449.02$1,347.05
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