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2-chloro-5-[2-(trifluoromethoxy)phenyl]-1H-1,3-benzodiazole

2-chloro-5-[2-(trifluoromethoxy)phenyl]-1H-1,3-benzodiazole

Formula: C14H8ClF3N2O

SMILES: FC(F)(F)OC1=CC=CC=C1C1=CC=C2NC(Cl)=NC2=C1

IUPAC: 2-chloro-5-[2-(trifluoromethoxy)phenyl]-1H-1,3-benzodiazole

InChI: InChI=1S/C14H8ClF3N2O/c15-13-19-10-6-5-8(7-11(10)20-13)9-3-1-2-4-12(9)21-14(16,17)18/h1-7H,(H,19,20)

Composition: C (53.78%), H (2.58%), Cl (11.34%), F (18.23%), N (8.96%), O (5.12%)

Molar Mass: 312.68

Atom Count: 29

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 312.0277251
Formal Charge 0
FSP3 0.07
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey FLSNXNXLCZDZBL-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 68.2
Topological Polar Surface Area 37.91
Polarizability 29.21
Ring Count 3
Rotatable Bond Count 3

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
J&W PHARMLAB LLC
Purity LeadTime Formula PacketSize UnitPrice
96% <2 Days C14H8ClF3N2O $572.70-$917.70$572.70$917.70
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