5'-Bromo-2'-hydroxy-3'-nitroacetophenone

C₈H₆BrNO₄CAS 70978-54-0260.04 g/mol

Open in Covalent MOL file

Aryl halide Ketone Nitro Phenol

Properties

Molecular formula: C₈H₆BrNO₄
Molar mass: 260.04 g/mol
Exact mass: 258.9480 Da
logP: 2.27Crippen estimate
Polar surface area: 80.4 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

70978-54-0

SMILES

CC(=O)C1=C(C(=CC(=C1)Br)[N+](=O)[O-])O

InChIKey

CLNIBJASCGZXHH-UHFFFAOYSA-N

InChI

InChI=1S/C8H6BrNO4/c1-4(11)6-2-5(9)3-7(8(6)12)10(13)14/h2-3,12H,1H3

Weigh it out

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Work with 5'-Bromo-2'-hydroxy-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 2-Hydroxy-5-chloro-3-nitroacetophenone84942-40-567 % similar 2′-Hydroxy-3′-nitroacetophenone28177-69-760 % similar 3',5'-Dibromo-2'-hydroxyacetophenone22362-66-960 % similar 4-Bromo-2-fluoro-6-nitrophenol320-76-356 % similar 4-Hydroxy-3-nitroacetophenone6322-56-153 % similar 1-(4-Bromo-3-nitrophenyl)ethanone18640-58-951 % similar 5-Bromo-2-nitro-benzoic acid6950-43-250 % similar

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

Same formula

Methyl 2-bromo-4-nitrobenzoate100959-22-6 5-Bromo-2-methyl-3-nitrobenzoic acid107650-20-4 Methyl 4-bromo-3-nitrobenzoate2363-16-8 4-Bromomethyl-3-nitrobenzoic acid55715-03-2 Methyl 3-bromo-5-nitrobenzoate6307-87-5 Methyl 2-bromo-5-nitrobenzoate6942-36-5 Methyl 5-bromo-2-nitrobenzoate883554-93-6

Elsewhere

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