1,2,3-trifluoro-5-nitrobenzene

1,2,3-trifluoro-5-nitrobenzene

CAS: 66684-58-0

Formula: C6H2F3NO2

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

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

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