CAS 613-54-7|2-bromo-1-(naphthalen-2-yl)ethanone|2-Bromo-1-(2-naphthyl)-1-ethanone|2-bromo-1-(naphthalen-2-yl)ethan-1-one|2-Bromo-2′-acetonaphthone|Bromomethyl 2-naphthyl ketone|2-溴-2′-萘乙酮|2-萘...

General Information

Structure

Molecular Formula

C₁₂H₉BrO

Molecular Mass

249.10326

Exact Mass

247.98367691

Charge

InChI

InChI=1S/C12H9BrO/c13-8-12(14)11-6-5-9-3-1-2-4-10(9)7-11/h1-7H,8H2

InChIKey

YHXHHGDUANVQHE-UHFFFAOYSA-N

Canonic Smiles

BrCC(=O)c1ccc2c(c1)cccc2

Isomeric Smiles

c1(cc2c(cc1)cccc2)C(=O)CBr

Calculated Properties

JChem

Acid pKa

15.426775

H Acceptors

H Donor

LogD (pH = 5.5)

3.2432091

LogD (pH = 7.4)

3.2432091

Log P

3.2432091

Molar Refractivity

60.6477

Polarizability

24.133566

Polar Surface Area

17.07

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC name

2-bromo-1-(naphthalen-2-yl)ethan-1-one

IUPAC Traditional name

2-bromo-1-(naphthalen-2-yl)ethanone

Synonyms

2-Bromo-1-(2-naphthyl)-1-ethanone2-Bromo-2′-acetonaphthoneBromomethyl 2-naphthyl ketone2-萘基溴甲基酮2-溴-2′-萘乙酮2-Bromo-2'-acetonaphthone2-(Bromoacetyl)naphthalene2-bromo-1-(naphthalen-2-yl)ethanone2-(溴乙酰基)萘α-BROMO-2-ACETYL NAPHTHALENE

Names and Identifiers

Registration numbers

PubChem CID

PubChem SID

MDL Number

CAS Number

EC Number