3-Bromo-1,10-phenanthroline

C₁₂H₇BrN₂CAS 66127-01-3259.11 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₂H₇BrN₂
Molar mass: 259.11 g/mol
Exact mass: 257.9793 Da
Melting point: 169–170 °C
logP: 3.55Crippen estimate
Polar surface area: 25.8 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Identifiers

CAS number

66127-01-3

SMILES

Brc1cnc2c(ccc3cccnc32)c1

InChIKey

OADZHFGJIVKDJN-UHFFFAOYSA-N

InChI

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

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

Names and synonyms

1 names

1,10-Phenanthroline, 3-bromo-

Work with 3-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

3,8-Dibromophenanthroline100125-12-074 % similar 1,10-Phenanthroline66-71-759 % similar 1,10-Phenanthroline hydrochloride3829-86-553 % similar 4,5-Phenanthroline monohydrate5144-89-853 % similar 6-Bromo-8-methoxyquinoline103028-32-653 % similar 3-Bromoquinoline5332-24-152 % similar 8-Bromoquinoline16567-18-350 % similar 7-Bromoquinoline4965-36-050 % similar

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

Same formula

2-Bromo-1,10-phenanthroline22426-14-8 5-Bromo-1,10-phenanthroline40000-20-2

Elsewhere

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