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8-bromo-7-chloro-2-phenyl-[1,2,4]triazolo[1,5-c]pyrimidine

8-bromo-7-chloro-2-phenyl-[1,2,4]triazolo[1,5-c]pyrimidine

CAS: 1254710-16-1

Formula: C11H6BrClN4

SMILES: ClC1=C(Br)C2=NC(=NN2C=N1)C1=CC=CC=C1

IUPAC: 8-bromo-7-chloro-2-phenyl-[1,2,4]triazolo[1,5-c]pyrimidine

InChI: InChI=1S/C11H6BrClN4/c12-8-9(13)14-6-17-11(8)15-10(16-17)7-4-2-1-3-5-7/h1-6H

Composition: C (42.68%), H (1.95%), Br (25.81%), Cl (11.45%), N (18.10%)

Molar Mass: 309.55

Atom Count: 23

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 307.946437
Formal Charge 0
FSP3 0
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey YIHLYKHEEQDQCL-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 91.85
Topological Polar Surface Area 43.08
Polarizability 26.6
Ring Count 3
Rotatable Bond Count 1

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97% <5 Days 1254710-16-1 $76.92-$597.71$76.92$121.06$215.63$597.71
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