chempirical

5-Bromo-2-iodobenzonitrile

C7H3BrINCAS 121554-10-7307.92 g/mol

Open in Covalent MOL file
NBrI
Aryl halideNitrile

Properties

Molecular formula
C7H3BrIN
Molar mass
307.92 g/mol
Exact mass
306.8494 Da
logP
2.93Crippen estimate
Polar surface area
23.8 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Identifiers

CAS number
121554-10-7
SMILES
N#Cc1cc(Br)ccc1I
InChIKey
JIGKPMMZNMQXDL-UHFFFAOYSA-N
InChI
InChI=1S/C7H3BrIN/c8-6-1-2-7(9)5(3-6)4-10/h1-3H

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Names and synonyms

1 names
  • Benzonitrile, 5-bromo-2-iodo-

Work with 5-Bromo-2-iodobenzonitrile

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-Bromo-2-methylbenzonitrile156001-51-361 % similar 5-Bromo-2-fluorobenzonitrile179897-89-356 % similar 2-Amino-5-bromobenzonitrile39263-32-656 % similar 5-Bromo-2-hydroxybenzonitrile40530-18-556 % similar 5-Bromo-2-chlorobenzonitrile57381-44-956 % similar 2-Iodobenzonitrile4387-36-452 % similar 4-Bromo-2-fluorobenzonitrile105942-08-352 % similar 4-Bromo-2-chlorobenzonitrile154607-01-952 % similar

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

Elsewhere

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