4,7-Dibromo-1,10-phenanthroline

C₁₂H₆Br₂N₂CAS 156492-30-7338.00 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₂H₆Br₂N₂
Molar mass: 338.00 g/mol
Exact mass: 335.8898 Da
logP: 4.31Crippen estimate
Polar surface area: 25.8 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

156492-30-7

SMILES

C1=CC2=C(C=CN=C2C3=NC=CC(=C31)Br)Br

InChIKey

AKZAIDYHEKUXBU-UHFFFAOYSA-N

InChI

InChI=1S/C12H6Br2N2/c13-9-3-5-15-11-7(9)1-2-8-10(14)4-6-16-12(8)11/h1-6H

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Names and synonyms

1 names

1,10-Phenanthroline, 4,7-dibromo-

Work with 4,7-Dibromo-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

4-Bromo-8-methoxyquinoline103028-31-553 % similar 4-Bromoquinoline3964-04-352 % similar 5-Bromo-1,10-phenanthroline40000-20-250 % similar 5-Bromo-8-hydroxyquinoline1198-14-748 % similar 5-Bromo-8-quinolinamine53472-18-748 % similar 4-Bromo-1H-pyrrolo[2,3-b]pyridine348640-06-248 % similar 4,7-Dimethyl-1,10-phenanthroline3248-05-346 % similar 4,7-Dichloro-1,10-phenanthroline5394-23-046 % similar

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

Same formula

3,8-Dibromophenanthroline100125-12-0

Elsewhere

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