3,5-Dibromonitro benzene

C₆H₃Br₂NO₂CAS 6311-60-0280.90 g/mol

Open in Covalent MOL file

Aryl halide Nitro

Properties

Molecular formula: C₆H₃Br₂NO₂
Molar mass: 280.90 g/mol
Exact mass: 278.8531 Da
logP: 3.12Crippen estimate
Polar surface area: 43.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed93% of notifiers

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number

6311-60-0

SMILES

C1=C(C=C(C=C1Br)Br)[N+](=O)[O-]

InChIKey

ZWBHGBWABMAWOV-UHFFFAOYSA-N

InChI

InChI=1S/C6H3Br2NO2/c7-4-1-5(8)3-6(2-4)9(10)11/h1-3H

Weigh it out

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Names and synonyms

1 names

1,3-Dibromo-5-nitrobenzene

Work with 3,5-Dibromonitro benzene

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-Bromo-3,5-dinitrobenzene18242-39-291 % similar 1-Bromo-3-fluoro-5-nitrobenzene7087-65-274 % similar 1-Bromo-3-chloro-5-nitrobenzene219817-43-371 % similar 3-Bromo-5-nitrobenzaldehyde355134-13-367 % similar 1-Bromo-3-methoxy-5-nitrobenzene16618-67-065 % similar 3-Bromo-5-nitrobenzotrifluoride630125-49-465 % similar 1-Bromo-3-nitrobenzene585-79-564 % similar 1,3,5-Trinitrobenzene99-35-464 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,6-Dibromopyridine-4-carboxylic acid2016-99-1 2,5-Dibromo-3-pyridinecarboxylic acid29312-99-0 2,5-Dibromonitrobenzene3460-18-2 2,4-Dibromonitrobenzene51686-78-3 2,6-Dibromo-3-pyridinecarboxylic acid55304-85-3

Elsewhere

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