chempirical

2-Bromo-4-methyl-6-nitrophenol

C7H6BrNO3CAS 20039-91-2232.03 g/mol

Open in Covalent MOL file
BrOHN+OO−
Aryl halideNitroPhenol

Properties

Molecular formula
C7H6BrNO3
Molar mass
232.03 g/mol
Exact mass
230.9531 Da
logP
2.37Crippen estimate
Polar surface area
63.4 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Identifiers

CAS number
20039-91-2
SMILES
CC1=CC(=C(C(=C1)Br)O)[N+](=O)[O-]
InChIKey
ABMPSIRCVCUHLO-UHFFFAOYSA-N
InChI
InChI=1S/C7H6BrNO3/c1-4-2-5(8)7(10)6(3-4)9(11)12/h2-3,10H,1H3

Weigh it out

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Work with 2-Bromo-4-methyl-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-cresol609-93-875 % similar 2,4-Dimethyl-6-nitrophenol14452-34-767 % similar 2-Amino-4-methyl-6-nitrophenol6265-07-263 % similar 2-Bromo-4-methyl-6-nitrobenzenamine827-24-763 % similar 1-Bromo-4-methyl-2-nitrobenzene5326-34-159 % similar 2-Bromo-6-nitrophenol13073-25-157 % similar 2,6-Dibromo-4-methylphenol2432-14-656 % similar 2,6-Dibromo-4-nitrophenol99-28-556 % similar

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

Same formula

4-Bromo-2-methoxy-1-nitrobenzene103966-66-1 Methyl 5-bromo-2-oxo-1,2-dihydro-3-pyridinecarboxylate120034-05-1 4-Bromo-3,5-dihydroxybenzamide13429-12-4 1-Bromo-3-methoxy-5-nitrobenzene16618-67-0 4-Bromo-2-nitrobenzyl alcohol22996-19-6 4-Bromo-1-methoxy-2-nitrobenzene33696-00-3 Methyl 5-bromo-6-hydroxynicotinate381247-99-0 2-Bromo-1-methoxy-4-nitrobenzene5197-28-4

Elsewhere

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