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5-(4-bromophenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine

5-(4-bromophenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine

Formula: C12H6BrF3N4

SMILES: FC(F)(F)C1=CC(=NC2=NC=NN12)C1=CC=C(Br)C=C1

IUPAC: 5-(4-bromophenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine

InChI: InChI=1S/C12H6BrF3N4/c13-8-3-1-7(2-4-8)9-5-10(12(14,15)16)20-11(19-9)17-6-18-20/h1-6H

Composition: C (42.01%), H (1.76%), Br (23.29%), F (16.61%), N (16.33%)

Molar Mass: 343.107

Atom Count: 26

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 341.972794
Formal Charge 0
FSP3 0.08
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey NENJVLJVDUJQHM-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 81.84
Topological Polar Surface Area 43.08
Polarizability 26.55
Ring Count 3
Rotatable Bond Count 2

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C12H6BrF3N4 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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