CAS 5445-26-1|Ethyl 4-nitrophenylacetate|ethyl 2-(4-nitrophenyl)acetate|ethyl 2-(4-nitrophenyl)acetate|ethyl 2-(4-nitrophenyl)acetate|NSC 21986|4-Nitro-benzeneacetic Acid Ethyl Ester|Ethyl 2-(4-Nitr...

General Information

Structure

Molecular Formula

C₁₀H₁₁NO₄

Molecular Mass

209.19864

Exact Mass

209.06880784

Charge

InChI

InChI=1S/C10H11NO4/c1-2-15-10(12)7-8-3-5-9(6-4-8)11(13)14/h3-6H,2,7H2,1H3

InChIKey

DWDRNKYLWMKWTH-UHFFFAOYSA-N

Canonic Smiles

CCOC(=O)Cc1ccc(cc1)[N+](=O)[O-]

Isomeric Smiles

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

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

2.0536804

LogD (pH = 7.4)

2.0536804

Log P

2.0536804

Molar Refractivity

53.2038

Polarizability

20.373121

Polar Surface Area

69.44

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

Ethyl 4-nitrophenylacetateethyl 2-(4-nitrophenyl)acetateNSC 219864-Nitro-benzeneacetic Acid Ethyl EsterEthyl 2-(4-Nitrophenyl)acetate(4-Nitrophenyl)acetic Acid Ethyl EsterEthyl (4-Nitrophenyl)acetate4-硝基苯基乙酸乙酯Ethyl 4-nitrophenylacetate4-Nitrophenylacetic acid ethyl ester

IUPAC name

ethyl 2-(4-nitrophenyl)acetate

IUPAC Traditional name

ethyl 2-(4-nitrophenyl)acetate

Names and Identifiers

Registration numbers

MDL Number

MFCD00017046

EC Number

226-646-5

PubChem SID

160971847