4-Bromo-2-chlorobenzotrifluoride

C₇H₃BrClF₃CAS 467435-07-0259.45 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide

Properties

Molecular formula: C₇H₃BrClF₃
Molar mass: 259.45 g/mol
Exact mass: 257.9059 Da
logP: 4.12Crippen estimate
Polar surface area: 0.0 Å²
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

467435-07-0

SMILES

C1=CC(=C(C=C1Br)Cl)C(F)(F)F

InChIKey

FJANWAMBKVZTRG-UHFFFAOYSA-N

InChI

InChI=1S/C7H3BrClF3/c8-4-1-2-5(6(9)3-4)7(10,11)12/h1-3H

Weigh it out

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Work with 4-Bromo-2-chlorobenzotrifluoride

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

2,4-Dichlorobenzotrifluoride320-60-560 % similar 4-Bromo-2-fluorobenzotrifluoride142808-15-958 % similar 2-Chloro-4-methylbenzotrifluoride74483-46-858 % similar 3-Chloro-4-trifluoromethylaniline445-13-656 % similar 2-Chlorobenzotrifluoride88-16-455 % similar 1,4-Dibromo-2-(trifluoromethyl)benzene7657-09-255 % similar 4-Bromo-1,2-dichlorobenzene18282-59-254 % similar 5-Bromo-2-fluorobenzotrifluoride393-37-353 % similar

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

Same formula

1-Bromo-4-chloro-2-(trifluoromethyl)benzene344-65-0 2-Bromo-1-chloro-3-(trifluoromethyl)benzene384-16-7 1-Bromo-2-chloro-4-(trifluoromethyl)benzene402-04-0 5-Bromo-2-chlorobenzotrifluoride445-01-2 3-Bromo-4-chlorobenzotrifluoride454-78-4 1-Bromo-2-chloro-3-(trifluoromethyl)benzene56131-47-6

Elsewhere

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