chempirical

1-Bromo-2-iodo-4-(trifluoromethyl)benzene

C7H3BrF3ICAS 640280-28-0350.90 g/mol

Open in Covalent MOL file
FFFIBr
Alkyl halideAryl halide

Properties

Molecular formula
C7H3BrF3I
Molar mass
350.90 g/mol
Exact mass
349.8415 Da
logP
4.07Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
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
640280-28-0
SMILES
C1=CC(=C(C=C1C(F)(F)F)I)Br
InChIKey
NBSGEAPKXCFNTH-UHFFFAOYSA-N
InChI
InChI=1S/C7H3BrF3I/c8-5-2-1-4(3-6(5)12)7(9,10)11/h1-3H

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Names and synonyms

1 names
  • 4-Bromo-3-iodobenzotrifluoride

Work with 1-Bromo-2-iodo-4-(trifluoromethyl)benzene

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

1-Bromo-2,4-bis(trifluoromethyl)benzene327-75-360 % similar 4-Bromo-3-fluorobenzotrifluoride40161-54-460 % similar 2-Iodo-4-(trifluoromethyl)aniline163444-17-556 % similar 1-Bromo-2-chloro-4-(trifluoromethyl)benzene402-04-056 % similar 2-Bromo-5-(trifluoromethyl)phenol402-05-156 % similar 2-Bromo-5-trifluoromethylaniline454-79-556 % similar 2-Bromo-1-methyl-4-(trifluoromethyl)benzene66417-30-956 % similar 4-Chloro-3-iodobenzotrifluoride672-57-156 % similar

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

Same formula

4-Bromo-1-iodo-2-(trifluoromethyl)benzene364-12-5

Elsewhere

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