N-(2-Nitrophenyl)acetamide

C₈H₈N₂O₃CAS 552-32-9180.16 g/mol

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Properties

Molecular formula: C₈H₈N₂O₃
Molar mass: 180.16 g/mol
Exact mass: 180.0535 Da
Density: 1.419 g/mL (at 15 °C)
Melting point: 94 °C
Boiling point: 100 °C
logP: 2.20Crippen estimate
Polar surface area: 75.7 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.7% of notifiers

Aggregated from 43 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

552-32-9

SMILES

CC(O)=Nc1ccccc1[N+](=O)[O-]

InChIKey

BUNFNRVLMKHKIT-UHFFFAOYSA-N

InChI

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

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Names and synonyms

7 names

Acetamide, N-(2-nitrophenyl)-
Acetanilide, 2′-nitro-
o-Nitroacetanilide
2′-Nitroacetanilide
N-Acetyl-o-nitroaniline
NSC 1313
2'-Nitroacetanilide

Work with N-(2-Nitrophenyl)acetamide

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2′-Nitrobenzanilide728-90-562 % similar N-(4-Methoxy-2-nitrophenyl)acetamide119-81-360 % similar 4-(Acetylamino)-3-nitrobenzoic acid1539-06-660 % similar N-(2-Nitrophenyl)hydrazinecarbothioamide73305-12-153 % similar N-(4-Chloro-3-nitrophenyl)acetamide5540-60-352 % similar 2-Nitrophenyl isocyanate3320-86-351 % similar 2,2′-Dinitrobiphenyl2436-96-650 % similar 5-Acetamido-2-nitrobenzoic acid4368-83-650 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-((4-Aminophenyl)amino)-2-oxoacetic acid103-92-4 Nitroacetanilide104-04-1 3-Nitroacetanilide122-28-1 4-Methyl-3-nitrobenzamide19013-11-7 3,4-(Methylenedioxy)benzohydrazide22026-39-7 Nicotinuric acid583-08-4 3-Methyl-4-nitrobenzamide99584-85-7

Elsewhere

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