CAS 5339-26-4|4-Nitrophenethyl bromide|1-(2-bromoethyl)-4-nitrobenzene|PHENETHYLBROMIDE4nitro|1-(2-Bromoethyl)-4-nitrobenzene|2-(4-Nitrophenyl)ethyl bromide|1-(2-溴乙基)-4-硝基苯|2-(4-硝基苯基)乙基...

General Information

Structure

Molecular Formula

C₈H₈BrNO₂

Molecular Mass

230.05862

Exact Mass

228.9738405

Charge

InChI

InChI=1S/C8H8BrNO2/c9-6-5-7-1-3-8(4-2-7)10(11)12/h1-4H,5-6H2

InChIKey

NTURQZFFJDCTMZ-UHFFFAOYSA-N

Canonic Smiles

BrCCc1ccc(cc1)[N+](=O)[O-]

Isomeric Smiles

C(Cc1ccc(cc1)[N+](=O)[O-])Br

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

2.9746284

LogD (pH = 7.4)

2.9746284

Log P

2.9746284

Molar Refractivity

49.9839

Polarizability

18.62106

Polar Surface Area

43.14

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

4-Nitrophenethyl bromide1-(2-Bromoethyl)-4-nitrobenzene2-(4-Nitrophenyl)ethyl bromide1-(2-溴乙基)-4-硝基苯2-(4-硝基苯基)乙基溴4-Nitrophenethyl bromide4-硝基苯乙基溴1-(2-bromoethyl)-4-nitrobenzene4-Nitrophenylethyl bromide4-Nitrophenethyl bromide1-(2-溴乙基)4-硝基苯1-(2-Bromoethyl)-4-nitrobenzene4-NitrophenethylbroMide

IUPAC name

1-(2-bromoethyl)-4-nitrobenzene

IUPAC Traditional name

PHENETHYLBROMIDE4nitro

Names and Identifiers

Registration numbers

CAS Number

5339-26-4

Beilstein Number

1909321

PubChem SID

2484719724886592162035148