5-Bromo-2-iodoaniline

C₆H₅BrINCAS 64085-52-5297.92 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₆H₅BrIN
Molar mass: 297.92 g/mol
Exact mass: 296.8650 Da
logP: 2.64Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
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

64085-52-5

SMILES

C1=CC(=C(C=C1Br)N)I

InChIKey

KISIGYZVSJKAEK-UHFFFAOYSA-N

InChI

InChI=1S/C6H5BrIN/c7-4-1-2-5(8)6(9)3-4/h1-3H,9H2

Weigh it out

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

Work with 5-Bromo-2-iodoaniline

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-1,2-benzenediamine1575-37-760 % similar 4,4'-Dibromobiphenyl-2,2'-diamine136630-36-958 % similar 5-Bromo-2-methylbenzenamine39478-78-957 % similar 2,5-Dibromoaniline3638-73-156 % similar 5-Bromo-2-iodotoluene116632-39-454 % similar 4,4'-Dibromo-2,2'-diiodobiphenyl852138-89-752 % similar 4-Bromo-2-fluoro-1-iodobenzene105931-73-552 % similar 2-Iodo-5-methylbenzenamine13194-69-952 % similar

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

Same formula

4-Bromo-2-iodoaniline66416-72-6

Elsewhere

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