2-Hydroxy-5-chloro-3-nitroacetophenone

C8H6ClNO4CAS 84942-40-5215.59 g/mol

Open in Covalent MOL file
OClN+OO−HO
Aryl halideKetoneNitroPhenol

Properties

Molecular formula
C8H6ClNO4
Molar mass
215.59 g/mol
Exact mass
214.9985 Da
Melting point
133 °C
logP
2.16Crippen estimate
Polar surface area
80.4 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 44 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
84942-40-5
SMILES
CC(=O)c1cc(Cl)cc([N+](=O)[O-])c1O
InChIKey
IUNBIQBAYUBIFD-UHFFFAOYSA-N
InChI
InChI=1S/C8H6ClNO4/c1-4(11)6-2-5(9)3-7(8(6)12)10(13)14/h2-3,12H,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

8 names
  • 5′-Chloro-3′-nitro-2′-hydroxyacetophenone
  • Ethanone, 1-(5-chloro-2-hydroxy-3-nitrophenyl)-
  • Acetophenone, 5′-chloro-2′-hydroxy-3′-nitro-
  • 1-(5-Chloro-2-hydroxy-3-nitrophenyl)ethanone
  • 2-Acetyl-4-chloro-6-nitrophenol
  • 5′-Chloro-2′-hydroxy-3′-nitroacetophenone
  • 1-(5-Chloro-2-hydroxy-3-nitrophenyl)ethan-1-one
  • 5'-Chloro-2'-hydroxy-3'-nitroacetophenone

Work with 2-Hydroxy-5-chloro-3-nitroacetophenone

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

2'-Hydroxy-5'-methyl-3'-nitroacetophenone66108-30-369 % similar 5-Chloro-2-hydroxy-3-nitrobenzoic acid7195-78-069 % similar 5'-Bromo-2'-hydroxy-3'-nitroacetophenone70978-54-067 % similar 2′-Hydroxy-3′-nitroacetophenone28177-69-764 % similar 5,5'-Dichloro-3,3'-dinitro(1,1'-biphenyl)-2,2'-diol10331-57-460 % similar 3',5'-Dichloro-2'-hydroxyacetophenone3321-92-459 % similar 2,4-Dichloro-6-nitrophenol609-89-259 % similar 3'-Bromo-5'-chloro-2'-hydroxyacetophenone59443-15-157 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Methyl 2-chloro-4-nitrobenzoate13324-11-3 Methyl 4-chloro-3-nitrobenzoate14719-83-6 4-Chloro-3-nitrophenylacetic acid37777-68-7 2-Nitro-4-chlorobenzoic acid methyl ester42087-80-9 4-Nitrobenzyl chloroformate4457-32-3 Methyl 5-chloro-2-nitrobenzoate51282-49-6 Methyl 2-chloro-5-nitrobenzoate6307-82-0

Elsewhere

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