CAS 104-04-1|4-nitroacetanilide|N-(4-nitrophenyl)acetamide|4'-Nitroacetanilide|Acetic acid 4-nitroanilide|4′-硝基乙酰苯胺|4-Nitroacetanilide|4′-Nitroacetanilide|4-硝基乙酰苯胺|nitroacetanilide|对硝...

General Information

Structure

Molecular Formula

C₈H₈N₂O₃

Molecular Mass

180.16072

Exact Mass

180.05349213

Charge

InChI

InChI=1S/C8H8N2O3/c1-6(11)9-7-2-4-8(5-3-7)10(12)13/h2-5H,1H3,(H,9,11)

InChIKey

NQRLPDFELNCFHW-UHFFFAOYSA-N

Canonic Smiles

CC(=O)Nc1ccc(cc1)[N+](=O)[O-]

Isomeric Smiles

N(c1ccc(cc1)[N+](=O)[O-])C(=O)C

Calculated Properties

JChem

Acid pKa

13.202404

H Acceptors

H Donor

LogD (pH = 5.5)

1.1509404

LogD (pH = 7.4)

1.1509397

Log P

1.1509404

Molar Refractivity

47.2415

Polarizability

17.131718

Polar Surface Area

72.24

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC Traditional name

4-nitroacetanilide nitroacetanilide

IUPAC name

N-(4-nitrophenyl)acetamide

Synonyms

4'-NitroacetanilideAcetic acid 4-nitroanilide4′-硝基乙酰苯胺4-Nitroacetanilide4′-Nitroacetanilide4-硝基乙酰苯胺对硝基乙酰苯胺4'-硝基乙酰苯胺4'-NitroacetanilideN-(4-Nitrophenyl)acetamideNitroacetanilidep-Nitroacetanilidep-AcetamidonitrobenzeneN-Acetyl-4-nitroaniline

Names and Identifiers

Registration numbers

MDL Number

CAS Number

Beilstein Number

EC Number

Wikipedia Title