1-Bromo-2,3,4-trifluorobenzene

C₆H₂BrF₃CAS 176317-02-5210.98 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₂BrF₃
Molar mass: 210.98 g/mol
Exact mass: 209.9292 Da
logP: 2.87Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Identifiers

CAS number

176317-02-5

SMILES

C1=CC(=C(C(=C1F)F)F)Br

InChIKey

MUUAQFJJUGVBGB-UHFFFAOYSA-N

InChI

InChI=1S/C6H2BrF3/c7-3-1-2-4(8)6(10)5(3)9/h1-2H

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Names and synonyms

1 names

2,3,4-Trifluorobromobenzene

Work with 1-Bromo-2,3,4-trifluorobenzene

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

1,4-Dibromo-2,3-difluorobenzene156682-52-974 % similar 1-Bromo-2,3-difluorobenzene38573-88-565 % similar 1,2,3,4-Tetrafluorobenzene551-62-263 % similar 1-Bromo-3-chloro-2,4-difluorobenzene201849-13-062 % similar 1-Bromo-2,4-difluoro-3-methylbenzene221220-97-962 % similar 1-Bromo-2,3,4,5-tetrafluorobenzene1074-91-558 % similar 6-Bromo-2,3-difluorobenzaldehyde360576-04-155 % similar 3-Bromo-2,6-difluorobenzaldehyde398456-82-155 % similar

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

Same formula

1-Bromo-2,3,5-trifluorobenzene133739-70-5 5-Bromo-1,2,3-trifluorobenzene138526-69-9 2-Bromo-1,3,4-trifluorobenzene176793-04-7 2-Bromo-1,3,5-trifluorobenzene2367-76-2 1-Bromo-2,4,5-trifluorobenzene327-52-6

Elsewhere

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