5-Bromo-1,10-phenanthroline

C₁₂H₇BrN₂CAS 40000-20-2259.11 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₂H₇BrN₂
Molar mass: 259.11 g/mol
Exact mass: 257.9793 Da
Melting point: 110 °C
logP: 3.55Crippen estimate
Polar surface area: 25.8 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Identifiers

CAS number

40000-20-2

SMILES

Brc1cc2cccnc2c2ncccc12

InChIKey

GWKGPQCKIBRXGW-UHFFFAOYSA-N

InChI

InChI=1S/C12H7BrN2/c13-10-7-8-3-1-5-14-11(8)12-9(10)4-2-6-15-12/h1-7H

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Names and synonyms

1 names

1,10-Phenanthroline, 5-bromo-

Work with 5-Bromo-1,10-phenanthroline

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

5,7-Dibromo-8-hydroxyquinoline521-74-459 % similar 5-Methyl-1,10-phenanthroline3002-78-658 % similar 5-Chloro-1,10-phenanthroline4199-89-758 % similar 8-Bromoquinoline16567-18-357 % similar 5-Bromo-8-hydroxyquinoline1198-14-751 % similar 5-Bromo-8-quinolinamine53472-18-751 % similar 1,10-Phenanthroline66-71-750 % similar 5-Bromo-1,7-naphthyridin-8(7H)-one67967-14-050 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-Bromo-1,10-phenanthroline22426-14-8 3-Bromo-1,10-phenanthroline66127-01-3

Elsewhere

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