CAS 119-81-3|N-(4-methoxy-2-nitrophenyl)acetamide|N-(4-Methoxy-2-nitrophenyl)acetamide|2-nitro-4-methoxyacetanilide|4-ACETAMINO-3-NITROANISOLE|4-Methoxy-2-nitroacetanilide|4-Acetylamino-1-methoxy-3-...

General Information

Structure

Molecular Formula

C₉H₁₀N₂O₄

Molecular Mass

210.1867

Exact Mass

210.06405681

Charge

InChI

InChI=1S/C9H10N2O4/c1-6(12)10-8-4-3-7(15-2)5-9(8)11(13)14/h3-5H,1-2H3,(H,10,12)

InChIKey

QGEGALJODPBPGR-UHFFFAOYSA-N

Canonic Smiles

COc1ccc(c(c1)[N+](=O)[O-])NC(=O)C

Isomeric Smiles

c1c(ccc(c1[N+](=O)[O-])NC(=O)C)OC

Calculated Properties

JChem

Acid pKa

11.366592

H Acceptors

H Donor

LogD (pH = 5.5)

0.99326855

LogD (pH = 7.4)

0.99322456

Log P

0.9932691

Molar Refractivity

53.7047

Polarizability

19.68908

Polar Surface Area

81.47

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC name

N-(4-methoxy-2-nitrophenyl)acetamide

IUPAC Traditional name

2-nitro-4-methoxyacetanilide

Synonyms

N-(4-Methoxy-2-nitrophenyl)acetamide4-ACETAMINO-3-NITROANISOLE4-Acetamido-1-methoxy-3-nitrobenzeneN-(4-Methoxy-2-nitrophenyl)acetamide-4-Methoxy-2-nitroacetanilideNSC 55164-Acetylamino-1-methoxy-3-nitrobenzene2'-Nitro-4'-methoxyacetanilide2'-Nitro-p-acetanisidide4'-甲氧基-2'-硝基乙酰苯胺4'-Methoxy-2'-nitroacetanilide

Names and Identifiers

Registration numbers

PubChem CID

MDL Number

CAS Number

PubChem SID

EC Number