1-(2-Hydroxy-5-nitrophenyl)ethanone

C8H7NO4CAS 1450-76-6181.15 g/mol

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KetoneNitroPhenol

Properties

Molecular formula
C8H7NO4
Molar mass
181.15 g/mol
Exact mass
181.0375 Da
Melting point
11–12 °C
logP
1.50Crippen estimate
Polar surface area
80.4 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number
1450-76-6
SMILES
CC(=O)c1cc([N+](=O)[O-])ccc1O
InChIKey
LNCBPUWMGYOISS-UHFFFAOYSA-N
InChI
InChI=1S/C8H7NO4/c1-5(10)7-4-6(9(12)13)2-3-8(7)11/h2-4,11H,1H3

Weigh it out

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Names and synonyms

8 names
  • Ethanone, 1-(2-hydroxy-5-nitrophenyl)-
  • Acetophenone, 2′-hydroxy-5′-nitro-
  • 2′-Hydroxy-5′-nitroacetophenone
  • 5′-Nitro-2′-hydroxyacetophenone
  • 2-Acetyl-4-nitrophenol
  • NSC 64461
  • 1-(2-Hydroxy-5-nitrophenyl)ethan-1-one
  • 2'-Hydroxy-5'-nitroacetophenone

Work with 1-(2-Hydroxy-5-nitrophenyl)ethanone

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

5-Nitrosalicylic acid96-97-967 % similar 2′-Chloro-5′-nitroacetophenone23082-50-065 % similar 1-(2-Fluoro-5-nitrophenyl)ethan-1-one79110-05-765 % similar Methyl 5-nitrosalicylate17302-46-464 % similar 4-Hydroxy-3-nitroacetophenone6322-56-161 % similar 2'-Chloro-4'-nitroacetophenone67818-41-161 % similar 4-Nitrocatechol3316-09-458 % similar 2-Methyl-4-nitrophenol99-53-658 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Aminoterephthalic acid10312-55-7 (4-Nitrophenyl)acetic acid104-03-0 2-Methyl-6-nitrobenzoic acid13506-76-8 2-Methoxy-4-nitrobenzaldehyde136507-15-8 2,3-Dihydro-6-nitro-1,4-benzodioxin16498-20-7 5-(Methoxycarbonyl)pyridine-2-carboxylic acid17874-79-2 3-Nitrophenylacetic acid1877-73-2 2-Methyl-3-nitrobenzoic acid1975-50-4

Elsewhere

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