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1,3,5-trifluoro-2-nitrobenzene

1,3,5-trifluoro-2-nitrobenzene

CAS: 315-14-0

Formula: C6H2F3NO2

SMILES: [O-][N+](=O)C1=C(F)C=C(F)C=C1F

IUPAC: 1,3,5-trifluoro-2-nitrobenzene

InChI: InChI=1S/C6H2F3NO2/c7-3-1-4(8)6(10(11)12)5(9)2-3/h1-2H

Composition: C (40.70%), H (1.14%), F (32.19%), N (7.91%), O (18.07%)

Molar Mass: 177.082

Atom Count: 14

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 177.003762797
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey PWRFDGYYJWQIAB-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 33.03
Topological Polar Surface Area 43.14
Polarizability 11.81
Ring Count 1
Rotatable Bond Count 1

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