1-Bromo-4-methyl-2-nitrobenzene

C₇H₆BrNO₂CAS 5326-34-1216.03 g/mol

Open in Covalent MOL file

Aryl halide Nitro

Properties

Molecular formula: C₇H₆BrNO₂
Molar mass: 216.03 g/mol
Exact mass: 214.9582 Da
Melting point: 30.2–31.2 °C
Boiling point: 147–148 °C (at 13 Torr)
logP: 2.67Crippen estimate
Polar surface area: 43.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Identifiers

CAS number

5326-34-1

SMILES

Cc1ccc(Br)c([N+](=O)[O-])c1

InChIKey

UPBUTKQMDPHQAQ-UHFFFAOYSA-N

InChI

InChI=1S/C7H6BrNO2/c1-5-2-3-6(8)7(4-5)9(10)11/h2-4H,1H3

Weigh it out

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Names and synonyms

5 names

Benzene, 1-bromo-4-methyl-2-nitro-
Toluene, 4-bromo-3-nitro-
2-Bromo-5-methylnitrobenzene
4-Bromo-3-nitrotoluene
NSC 289

Work with 1-Bromo-4-methyl-2-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

Same formula

4-Nitrobenzyl bromide100-11-8 5-Bromo-2-methoxypyridine-3-carbaldehyde103058-87-3 2-Amino-4-bromobenzoic acid20776-50-5 2-Amino-3-bromobenzoic acid20776-51-6 Methyl 6-bromo-2-pyridinecarboxylate26218-75-7 3-Amino-4-bromobenzoic acid2840-29-1 5-Bromopyridine-2-carboxylic acid methyl ester29682-15-3 3-Nitrobenzyl bromide3958-57-4

Elsewhere

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