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7-(3-bromophenyl)-5-phenyl-4H,5H,6H,7H-[1,2,4]triazolo[1,5-a]pyrimidine

7-(3-bromophenyl)-5-phenyl-4H,5H,6H,7H-[1,2,4]triazolo[1,5-a]pyrimidine

Formula: C17H15BrN4

SMILES: BrC1=CC=CC(=C1)C1CC(NC2=NC=NN12)C1=CC=CC=C1

IUPAC: 7-(3-bromophenyl)-5-phenyl-4H,5H,6H,7H-[1,2,4]triazolo[1,5-a]pyrimidine

InChI: InChI=1/C17H15BrN4/c18-14-8-4-7-13(9-14)16-10-15(12-5-2-1-3-6-12)21-17-19-11-20-22(16)17/h1-9,11,15-16H,10H2,(H,19,20,21)

Composition: C (57.48%), H (4.26%), Br (22.49%), N (15.77%)

Molar Mass: 355.239

Atom Count: 37

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 2
Exact Mass 354.048009
Formal Charge 0
FSP3 0.18
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey ZDISUQYYBPFDRJ-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 102.89
Topological Polar Surface Area 42.74
Polarizability 34
Ring Count 4
Rotatable Bond Count 2

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C17H15BrN4 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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