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5-(4-chlorophenyl)-7-(4-methoxyphenyl)-6H,7H-[1,2,4]triazolo[1,5-a]pyrimidine

5-(4-chlorophenyl)-7-(4-methoxyphenyl)-6H,7H-[1,2,4]triazolo[1,5-a]pyrimidine

Formula: C18H15ClN4O

SMILES: COC1=CC=C(C=C1)C1CC(=NC2=NC=NN12)C1=CC=C(Cl)C=C1

IUPAC: 5-(4-chlorophenyl)-7-(4-methoxyphenyl)-6H,7H-[1,2,4]triazolo[1,5-a]pyrimidine

InChI: InChI=1/C18H15ClN4O/c1-24-15-8-4-13(5-9-15)17-10-16(12-2-6-14(19)7-3-12)22-18-20-11-21-23(17)18/h2-9,11,17H,10H2,1H3

Composition: C (63.81%), H (4.46%), Cl (10.46%), N (16.54%), O (4.72%)

Molar Mass: 338.8

Atom Count: 39

Heavy Atom Count: 24

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 1
Exact Mass 338.0934388
Formal Charge 0
FSP3 0.17
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey ITNBBEOWDMLWEQ-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 106.45
Topological Polar Surface Area 52.3
Polarizability 35.25
Ring Count 4
Rotatable Bond Count 3

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C18H15ClN4O $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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