chempirical

3,8-Dibromophenanthroline

C12H6Br2N2CAS 100125-12-0338.00 g/mol

Open in Covalent MOL file
NNBrBr
Aryl halide

Properties

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

Identifiers

CAS number
100125-12-0
SMILES
C1=CC2=CC(=CN=C2C3=NC=C(C=C31)Br)Br
InChIKey
IDWJREBUVYSPKS-UHFFFAOYSA-N
InChI
InChI=1S/C12H6Br2N2/c13-9-3-7-1-2-8-4-10(14)6-16-12(8)11(7)15-5-9/h1-6H

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Names and synonyms

1 names
  • 3,8-Dibromo-1,10-phenanthroline

Work with 3,8-Dibromophenanthroline

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-Bromo-1,10-phenanthroline66127-01-374 % similar 3-Bromoquinoline5332-24-154 % similar 2,7-Dibromopyrene102587-98-446 % similar 3-Bromo-8-chloro-1,5-naphthyridine97267-61-345 % similar 2,6-Dibromoanthracene186517-01-144 % similar 2-Methyl-5-bromo-7-azaindole1111638-02-844 % similar 6-Bromoisoquinoline34784-05-943 % similar 2,3,5-Tribromopyridine75806-85-843 % similar

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

Elsewhere

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