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3-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazole

3-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazole

CAS: 1333154-10-1

Formula: C10H5F6N3

SMILES: FC(F)(F)C1=CC(=CC(=C1)C1=NNC=N1)C(F)(F)F

IUPAC: 3-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazole

InChI: InChI=1S/C10H5F6N3/c11-9(12,13)6-1-5(8-17-4-18-19-8)2-7(3-6)10(14,15)16/h1-4H,(H,17,18,19)

Composition: C (42.72%), H (1.79%), F (40.54%), N (14.95%)

Molar Mass: 281.161

Atom Count: 24

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 281.038766151
Formal Charge 0
FSP3 0.2
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey VREVSIZDNGOZRO-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 66.28
Topological Polar Surface Area 41.57
Polarizability 19.27
Ring Count 2
Rotatable Bond Count 3

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