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

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

Formula: C17H13Cl3N4

SMILES: ClC1=CC=C(C=C1)C1CC(N2N=CN=C2N1)C1=C(Cl)C=CC=C1Cl

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

InChI: InChI=1/C17H13Cl3N4/c18-11-6-4-10(5-7-11)14-8-15(24-17(23-14)21-9-22-24)16-12(19)2-1-3-13(16)20/h1-7,9,14-15H,8H2,(H,21,22,23)

Composition: C (53.78%), H (3.45%), Cl (28.01%), N (14.76%)

Molar Mass: 379.67

Atom Count: 37

Heavy Atom Count: 24

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 2
Exact Mass 378.0205795
Formal Charge 0
FSP3 0.18
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey BPLPKAQRJGFVIQ-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity 109.68
Topological Polar Surface Area 42.74
Polarizability 36.94
Ring Count 4
Rotatable Bond Count 2

Suppliers

Purity (%)
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Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C17H13Cl3N4 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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