1-Bromo-2-methyl-5-(1-methylethoxy)-4-nitrobenzene

C10H12BrNO3CAS 1202858-68-1274.11 g/mol

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N+OO−OBr
Aryl halideEtherNitro

Properties

Molecular formula
C10H12BrNO3
Molar mass
274.11 g/mol
Exact mass
273.0001 Da
logP
3.45Crippen estimate
Polar surface area
52.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
3

Hazards

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

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Identifiers

CAS number
1202858-68-1
SMILES
Cc1cc([N+](=O)[O-])c(OC(C)C)cc1Br
InChIKey
LEOYPMMITUZVSD-UHFFFAOYSA-N
InChI
InChI=1S/C10H12BrNO3/c1-6(2)15-10-5-8(11)7(3)4-9(10)12(13)14/h4-6H,1-3H3

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Names and synonyms

2 names
  • Benzene, 1-bromo-2-methyl-5-(1-methylethoxy)-4-nitro-
  • 1-Bromo-5-isopropoxy-2-methyl-4-nitrobenzene

Work with 1-Bromo-2-methyl-5-(1-methylethoxy)-4-nitrobenzene

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

1-Chloro-5-isopropoxy-2-methyl-4-nitrobenzene1032903-50-667 % similar 5-Methyl-2-isopropyloxy-4-(pyridine-4-YL)-nitrobenzene1032903-62-063 % similar 1-Bromo-2,4-dimethyl-5-nitrobenzene69383-59-157 % similar 1-Bromo-5-fluoro-2-methyl-4-nitrobenzene64695-96-156 % similar 4-Bromo-5-methyl-2-nitroaniline827-32-752 % similar 4-Bromo-5-fluoro-2-nitrotoluene224185-19-746 % similar 1-Bromo-2-methyl-4-nitrobenzene7149-70-445 % similar 2-Bromo-1-methyl-4-nitrobenzene7745-93-945 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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