Methyl 3-bromo-5-(trifluoromethyl)benzoate

C₉H₆BrF₃O₂CAS 187331-46-0283.04 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Ester

Properties

Molecular formula: C₉H₆BrF₃O₂
Molar mass: 283.04 g/mol
Exact mass: 281.9503 Da
logP: 3.25Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Identifiers

CAS number

187331-46-0

SMILES

COC(=O)C1=CC(=CC(=C1)Br)C(F)(F)F

InChIKey

CHJZZYDOCDJKFY-UHFFFAOYSA-N

InChI

InChI=1S/C9H6BrF3O2/c1-15-8(14)5-2-6(9(11,12)13)4-7(10)3-5/h2-4H,1H3

Weigh it out

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

Work with Methyl 3-bromo-5-(trifluoromethyl)benzoate

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

Methyl 3,5-bistrifluoromethylbenzoate26107-80-279 % similar Methyl 3,5-dibromobenzoate51329-15-867 % similar Dimethyl 5-bromoisophthalate51760-21-567 % similar Methyl 3-trifluoromethylbenzoate2557-13-362 % similar Methyl 4-(trifluoromethyl)benzoate2967-66-059 % similar Methyl 3-bromo-5-iodobenzoate188813-07-256 % similar Methyl 5-bromo-3-hydroxybenzoate192810-12-156 % similar 3-Bromo-5-(trifluoromethyl)benzoic acid328-67-656 % similar

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

Same formula

4-(Trifluoromethoxy)phenacyl bromide103962-10-3 Methyl 3-bromo-4-(trifluoromethyl)benzoate455941-82-9

Elsewhere

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