CAS 3947-58-8|2-bromo-N-(2-hydroxy-5-nitrophenyl)acetamide|2-BROMOACETAMIDO-4-NITROPHENOL|2-Bromo-2'-hydroxy-5'-nitro acetanilide|2-bromo-N-(2-hydroxy-5-nitrophenyl)acetamide|2-溴乙酰胺-4-硝基苯酚|2-...

General Information

Structure

Molecular Formula

C₈H₇BrN₂O₄

Molecular Mass

275.05618

Exact Mass

273.95891871

Charge

InChI

InChI=1S/C8H7BrN2O4/c9-4-8(13)10-6-3-5(11(14)15)1-2-7(6)12/h1-3,12H,4H2,(H,10,13)

InChIKey

STWBNOBMOCQPLR-UHFFFAOYSA-N

Canonic Smiles

[O-][N+](=O)c1cc(NC(=O)CBr)c(cc1)O

Isomeric Smiles

Oc1c(NC(=O)CBr)cc(cc1)[N+](=O)[O-]

Calculated Properties

JChem

Acid pKa

6.345404

H Acceptors

H Donor

LogD (pH = 5.5)

1.5127691

LogD (pH = 7.4)

0.5175703

Log P

1.5702142

Molar Refractivity

57.9633

Polarizability

20.769342

Polar Surface Area

95.15

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC name

2-bromo-N-(2-hydroxy-5-nitrophenyl)acetamide

Synonyms

2-BROMOACETAMIDO-4-NITROPHENOL2-Bromo-2'-hydroxy-5'-nitro acetanilide2-溴乙酰胺-4-硝基苯酚2-溴-2′-羟基-5′-硝基乙酰苯胺Koshland’s Reagent III2-Bromo-2′-hydroxy-5′-nitroacetanilide2-Bromoacetamido-4-nitrophenolKoshland 试剂 III

IUPAC Traditional name

2-bromo-N-(2-hydroxy-5-nitrophenyl)acetamide

Names and Identifiers

Registration numbers

EC Number

CAS Number

PubChem SID

PubChem CID