Ethyl p-nitrophenylacetate

C10H11NO4CAS 5445-26-1209.20 g/mol

Open in Covalent MOL file
OON+OO−
EsterNitro

Properties

Molecular formula
C10H11NO4
Molar mass
209.20 g/mol
Exact mass
209.0688 Da
Melting point
69 °C
Boiling point
125–150 °C (at 0.1 Torr)
logP
1.70Crippen estimate
Polar surface area
69.4 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
4

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
5445-26-1
SMILES
CCOC(=O)Cc1ccc([N+](=O)[O-])cc1
InChIKey
DWDRNKYLWMKWTH-UHFFFAOYSA-N
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

Weigh it out

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Names and synonyms

9 names
  • Benzeneacetic acid, 4-nitro-, ethyl ester
  • Acetic acid, (p-nitrophenyl)-, ethyl ester
  • Ethyl 4-nitrobenzeneacetate
  • Ethyl (4-nitrophenyl)acetate
  • 4-Nitrobenzeneacetic acid ethyl ester
  • (4-Nitrophenyl)acetic acid ethyl ester
  • NSC 21986
  • Ethyl 2-(4-nitrophenyl)acetate
  • Ethyl 4-nitrophenylacetate

Work with Ethyl p-nitrophenylacetate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Ethyl (4-nitrobenzoyl)acetate838-57-365 % similar Ethyl 4-nitrobenzoate99-77-461 % similar Ethyl p-tolylacetate14062-19-259 % similar Ethyl phenylacetate101-97-358 % similar p-Chlorophenylacetic acid ethyl ester14062-24-957 % similar Ethyl 2-(4-bromophenyl)acetate14062-25-057 % similar Ethyl 4-hydroxyphenylacetate17138-28-257 % similar 1-(4-Nitrophenyl)propan-2-one5332-96-757 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,3-Dimethyl 5-methyl-2,3-pyridinedicarboxylate112110-16-4 N-Phenyliminodiacetic acid1137-73-1 Benzyloxycarbonylglycine1138-80-3 Alpha-Methyl-4-carboxyphenylglycine146669-29-6 2-(4-Formyl-2-methoxyphenoxy)acetamide186685-89-2 2,4-Dimethoxy-omega-nitrostyrene1891-10-7 Dimethyl 3-aminobenzene-1,2-dicarboxylate34529-06-1 2,5-Dimethoxy-beta-nitrostyrene40276-11-7

Elsewhere

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