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

C₈H₃BrF₃NSCAS 206559-46-8282.08 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Isothiocyanate

Properties

Molecular formula: C₈H₃BrF₃NS
Molar mass: 282.08 g/mol
Exact mass: 280.9122 Da
logP: 4.20Crippen estimate
Polar surface area: 12.4 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Identifiers

CAS number

206559-46-8

SMILES

FC(F)(F)c1cc(Br)ccc1N=C=S

InChIKey

GWLIKBAQYRDIID-UHFFFAOYSA-N

InChI

InChI=1S/C8H3BrF3NS/c9-5-1-2-7(13-4-14)6(3-5)8(10,11)12/h1-3H

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

2 names

Benzene, 4-bromo-1-isothiocyanato-2-(trifluoromethyl)-
4-Bromo-2-trifluoromethylphenylisothiocyanate

Work with 4-Bromo-1-isothiocyanato-2-(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

4-Bromo-1-isothiocyanato-2-methylbenzene19241-38-455 % similar 1,4-Dibromo-2-(trifluoromethyl)benzene7657-09-250 % similar 5-Bromo-2-fluorobenzotrifluoride393-37-349 % similar 4-Bromo-1-iodo-2-(trifluoromethyl)benzene364-12-547 % similar 5-Bromo-2-chlorobenzotrifluoride445-01-247 % similar 4-Bromo-2-(trifluoromethyl)aniline445-02-347 % similar 4-Bromo-2-(trifluoromethyl)benzaldehyde861928-27-045 % similar 4-Bromophenyl isothiocyanate1985-12-244 % similar

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

Elsewhere

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