chempirical

1-Bromo-3-chloro-5-iodobenzene

C6H3BrClICAS 13101-40-1317.35 g/mol

Open in Covalent MOL file
BrICl
Aryl halide

Properties

Molecular formula
C6H3BrClI
Molar mass
317.35 g/mol
Exact mass
315.8151 Da
logP
3.71Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
13101-40-1
SMILES
C1=C(C=C(C=C1Br)I)Cl
InChIKey
RSGRRCWDCXLEHS-UHFFFAOYSA-N
InChI
InChI=1S/C6H3BrClI/c7-4-1-5(8)3-6(9)2-4/h1-3H

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Work with 1-Bromo-3-chloro-5-iodobenzene

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

Bromo-3,5-dichlorobenzene19752-55-764 % similar 1,3-Dibromo-5-iodobenzene19752-57-964 % similar 1,3-Dichloro-5-iodobenzene3032-81-364 % similar 3-Bromo-5-chlorophenol56962-04-050 % similar 1-Bromo-3-iodobenzene591-18-448 % similar 3-Bromo-5-chlorobenzaldehyde188813-05-045 % similar 3-Bromo-5-chlorobenzonitrile304854-55-545 % similar 1-Bromo-3-chlorobenzene108-37-244 % similar

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

Same formula

2-Bromo-4-chloro-1-iodobenzene31928-44-6 4-Bromo-2-chloro-1-iodobenzene31928-47-9

Elsewhere

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