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

C₇H₃BrClF₃CAS 402-04-0259.45 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

Identifiers

CAS number

402-04-0

SMILES

C1=CC(=C(C=C1C(F)(F)F)Cl)Br

InChIKey

RVTIHGGJJMXISV-UHFFFAOYSA-N

InChI

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

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Names and synonyms

1 names

1-Bromo-2-chloro-4-trifluoromethyl-benzene

Work with 1-Bromo-2-chloro-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

3,4-Dichlorobenzotrifluoride328-84-764 % similar 3-Chloro-4-hydroxybenzotrifluoride35852-58-561 % similar 1-Bromo-2,4-bis(trifluoromethyl)benzene327-75-360 % similar 4-Bromo-3-fluorobenzotrifluoride40161-54-460 % similar 3-Chloro-4-fluorobenzotrifluoride78068-85-658 % similar 4-Bromo-3,5-dichlorobenzotrifluoride118754-53-357 % similar 3-Chloro-4-iodobenzotrifluoride141738-80-956 % similar 2-Chloro-4-trifluoromethylaniline39885-50-256 % 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 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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