1-(Bromodifluoromethoxy)-4-nitrobenzene

C₇H₄BrF₂NO₃CAS 81932-04-9268.01 g/mol

Open in Covalent MOL file

Halogen Nitro Tertiary Amine

Properties

Molecular formula: C₇H₄BrF₂NO₃
Molar mass: 268.01 g/mol
Exact mass: 266.9343 Da
Melting point: 48 °C
logP: 2.92Crippen estimate
Polar surface area: 52.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 3

Identifiers

CAS number

81932-04-9

SMILES

O=[N+]([O-])c1ccc(OC(F)(F)Br)cc1

InChIKey

JPNHCEIQOASHOX-UHFFFAOYSA-N

InChI

InChI=1S/C7H4BrF2NO3/c8-7(9,10)14-6-3-1-5(2-4-6)11(12)13/h1-4H

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Names and synonyms

1 names

Benzene, 1-(bromodifluoromethoxy)-4-nitro-

Work with 1-(Bromodifluoromethoxy)-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

Elsewhere

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