1-Bromo-5-fluoro-2-methyl-3-nitrobenzene

C₇H₅BrFNO₂CAS 502496-33-5234.02 g/mol

Open in Covalent MOL file

Aryl halide Nitro

Properties

Molecular formula: C₇H₅BrFNO₂
Molar mass: 234.02 g/mol
Exact mass: 232.9488 Da
logP: 2.80Crippen estimate
Polar surface area: 43.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Identifiers

CAS number

502496-33-5

SMILES

Cc1c(Br)cc(F)cc1[N+](=O)[O-]

InChIKey

ZVDFTBJXUXQPAU-UHFFFAOYSA-N

InChI

InChI=1S/C7H5BrFNO2/c1-4-6(8)2-5(9)3-7(4)10(11)12/h2-3H,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

2 names

Benzene, 1-bromo-5-fluoro-2-methyl-3-nitro-
2-Bromo-4-fluoro-6-nitrotoluene

Work with 1-Bromo-5-fluoro-2-methyl-3-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

2-(Bromomethyl)-1-fluoro-3-nitrobenzene1958-93-6

Elsewhere

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