chempirical

2,4-Dimethyl-6-nitrophenol

C8H9NO3CAS 14452-34-7167.16 g/mol

Open in Covalent MOL file
OHN+OO−
NitroPhenol

Properties

Molecular formula
C8H9NO3
Molar mass
167.16 g/mol
Exact mass
167.0582 Da
Melting point
72 °C
logP
1.92Crippen estimate
Polar surface area
63.4 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Identifiers

CAS number
14452-34-7
SMILES
Cc1cc(C)c(O)c([N+](=O)[O-])c1
InChIKey
KJRCHILWKQLEBC-UHFFFAOYSA-N
InChI
InChI=1S/C8H9NO3/c1-5-3-6(2)8(10)7(4-5)9(11)12/h3-4,10H,1-2H3

Weigh it out

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Names and synonyms

4 names
  • Phenol, 2,4-dimethyl-6-nitro-
  • 2,4-Xylenol, 6-nitro-
  • 2-Nitro-4,6-dimethylphenol
  • 4,6-Dimethyl-2-nitrophenol

Work with 2,4-Dimethyl-6-nitrophenol

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

2,6-Dinitro-P-cresol609-93-880 % similar 2-Methyl-4,6-dinitrophenol534-52-171 % similar 2-Amino-4-methyl-6-nitrophenol6265-07-267 % similar Dnoc-ammonium2980-64-565 % similar 2,4-Dimethyl-6-nitroaniline1635-84-361 % similar 2,6-Dimethyl-4-nitrophenol2423-71-459 % similar Nitromesitylene603-71-458 % similar 1,4-Dimethyl-2-nitrobenzene89-58-757 % similar

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

Same formula

2-(4-Nitrophenyl)ethanol100-27-6 P-Nitrophenetole100-29-8 1-Methoxy-4-methyl-2-nitrobenzene119-10-8 Glycin122-87-2 2-Methoxy-1-methyl-4-nitrobenzene13120-77-9 2-Nitrobenzeneethanol15121-84-3 4-Methoxy-1-methyl-2-nitrobenzene17484-36-5 Methyl 5-hydroxyanthranilate1882-72-0

Elsewhere

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