CAS 5580-79-0|1,2,3,4-tetrafluoro-5-nitrobenzene|2,3,4,5-Tetrafluoronitrobenzene 99%|1,2,3,4-tetrafluoro-5-nitrobenzene|2,3,4,5-Tetrafluoronitrobenzene|2,3,4,5-四氟硝基苯|2,3,4,5-Tetrafluoronitroben...

General Information

Structure

Molecular Formula

C₆HF₄NO₂

Molecular Mass

195.0712528

Exact Mass

194.99434116

Charge

InChI

InChI=1S/C6HF4NO2/c7-2-1-3(11(12)13)5(9)6(10)4(2)8/h1H

InChIKey

MKMDVNZEIQDZEP-UHFFFAOYSA-N

Canonic Smiles

Fc1cc([N+](=O)[O-])c(c(c1F)F)F

Isomeric Smiles

O=[N+]([O-])c1c(F)c(F)c(c(c1)F)F

Calculated Properties

JChem

Acid pKa

17.865198

H Acceptors

H Donor

LogD (pH = 5.5)

2.4840376

LogD (pH = 7.4)

2.4840376

Log P

2.4840376

Molar Refractivity

33.2441

Polarizability

11.806529

Polar Surface Area

43.14

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC name

1,2,3,4-tetrafluoro-5-nitrobenzene

Synonyms

2,3,4,5-Tetrafluoronitrobenzene 99%2,3,4,5-Tetrafluoronitrobenzene2,3,4,5-四氟硝基苯2,3,4,5-Tetrafluoronitrobenzene2,3,4,5-Tetrafluoro-1-nitrobenzene5-Nitro-1,2,3,4-tetrafluorobenzeneNSC 966181,2,3,4-Tetrafluoro-5-nitrobenzene2,3,4,5-(Tetrafluoro)nitrobenzene1,2,3,4-Tetrafluoro-5-nitrobenzene

IUPAC Traditional name

1,2,3,4-tetrafluoro-5-nitrobenzene

Names and Identifiers

Registration numbers

CAS Number

PubChem SID

PubChem CID

MDL Number