CAS 2105-61-5|1,2,4-trifluoro-5-nitrobenzene|2,4,5-Trifluoronitrobenzene|1,2,4-trifluoro-5-nitrobenzene|1-Nitro-2,4,5-trifluorobenzene|2,4,5-Trifluoronitrobenzene 98%|5-硝基-1,2,4-三氟苯|1,2,4-三氟-...

General Information

Structure

Molecular Formula

C₆H₂F₃NO₂

Molecular Mass

177.0807896

Exact Mass

177.00376297

Charge

InChI

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

InChIKey

ROJNMGYMBLNTPK-UHFFFAOYSA-N

Canonic Smiles

Fc1cc([N+](=O)[O-])c(cc1F)F

Isomeric Smiles

c1(c(cc(c(c1)[N+](=O)[O-])F)F)F

Calculated Properties

JChem

Acid pKa

18.885296

H Acceptors

H Donor

LogD (pH = 5.5)

2.3413358

LogD (pH = 7.4)

2.3413358

Log P

2.3413358

Molar Refractivity

33.0277

Polarizability

11.811243

Polar Surface Area

43.14

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC name

1,2,4-trifluoro-5-nitrobenzene

Synonyms

2,4,5-Trifluoronitrobenzene2,4,5-Trifluoronitrobenzene 98%1-Nitro-2,4,5-trifluorobenzene5-硝基-1,2,4-三氟苯1,2,4-三氟-5-硝基苯2,4,5-三氟硝基苯1,2,4-trifluoro-5-nitrobenzene1,2,4-Trifluoro-5-nitrobenzene2,4,5-Trifluoronitrobenzene5-Nitro-1,2,4-trifluorobenzene1,2,4-Trifluoro-5-nitrobenzene2,4,5-Trifluoronitrobenzene1,2,4-三氟-5-硝基苯

IUPAC Traditional name

1,2,4-trifluoro-5-nitrobenzene

Names and Identifiers

Registration numbers

CAS Number

MDL Number

PubChem SID

PubChem CID