4-(Bromomethyl)-1-methoxy-2-(trifluoromethyl)benzene

C₉H₈BrF₃OCAS 261951-89-7269.06 g/mol

Open in Covalent MOL file

Alkyl halide Ether

Properties

Molecular formula: C₉H₈BrF₃O
Molar mass: 269.06 g/mol
Exact mass: 267.9711 Da
logP: 3.61Crippen estimate
Polar surface area: 9.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Identifiers

CAS number

261951-89-7

SMILES

COc1ccc(CBr)cc1C(F)(F)F

InChIKey

FZICFAROPYFJMF-UHFFFAOYSA-N

InChI

InChI=1S/C9H8BrF3O/c1-14-8-3-2-6(5-10)4-7(8)9(11,12)13/h2-4H,5H2,1H3

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

Names and synonyms

2 names

Benzene, 4-(bromomethyl)-1-methoxy-2-(trifluoromethyl)-
4-Methoxy-3-(trifluoromethyl)benzyl bromide

Work with 4-(Bromomethyl)-1-methoxy-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-(Bromomethyl)-1-fluoro-2-(trifluoromethyl)benzene184970-26-157 % similar 4-Methoxy-3-trifluoromethylbenzonitrile261951-87-551 % similar 4-Methoxy-3-(trifluoromethyl)benzaldehyde50823-87-551 % similar 4-Methoxy-3-(trifluoromethyl)benzoic acid213598-09-548 % similar 1-Methoxy-4-nitro-2-(trifluoromethyl)benzene654-76-248 % similar 4-Methoxybenzyl bromide2746-25-044 % similar 4-(Trifluoromethyl)benzyl bromide402-49-344 % similar 4-(Bromomethyl)-2-chloro-1-(trifluoromethoxy)benzene261763-18-244 % similar

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

Elsewhere

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