CAS 2069-14-9|2-Bromo-2'-nitro-4'-(trifluoromethyl)diphenyl ether|1-(2-bromophenoxy)-2-nitro-4-(trifluoromethyl)benzene|1-(2-bromophenoxy)-2-nitro-4-(trifluoromethyl)benzene|2'-Bromo-2-nitro-4-(trif...

General Information

Structure

Molecular Formula

C₁₃H₇BrF₃NO₃

Molecular Mass

362.0987896

Exact Mass

360.95613975

Charge

InChI

InChI=1S/C13H7BrF3NO3/c14-9-3-1-2-4-11(9)21-12-6-5-8(13(15,16)17)7-10(12)18(19)20/h1-7H

InChIKey

MEJCOJYNRIVQRG-UHFFFAOYSA-N

Canonic Smiles

[O-][N+](=O)c1cc(ccc1Oc1ccccc1Br)C(F)(F)F

Isomeric Smiles

O(c1ccc(cc1[N+](=O)[O-])C(F)(F)F)c1c(cccc1)Br

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

5.060118

LogD (pH = 7.4)

5.060118

Log P

5.060118

Molar Refractivity

73.22

Polarizability

26.829634

Polar Surface Area

55.05

Rotatable Bonds

Lipinski's Rule of Five

false

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

2-Bromo-2'-nitro-4'-(trifluoromethyl)diphenyl ether2'-Bromo-2-nitro-4-(trifluoromethyl)diphenyl ether 97%2-(2-Bromophenoxy)-5-(trifluoromethyl)nitrobenzene4-(2-Bromophenoxy)-3-nitrobenzotrifluoride1-(2-Bromophenoxy)-2-nitro-4-(trifluoromethyl)benzene

IUPAC Traditional name

1-(2-bromophenoxy)-2-nitro-4-(trifluoromethyl)benzene

IUPAC name

1-(2-bromophenoxy)-2-nitro-4-(trifluoromethyl)benzene

Names and Identifiers

Registration numbers

MDL Number

MFCD00069136

CAS Number

2069-14-9

PubChem SID

160969743