4-(Bromomethyl)-2-chloro-1-(trifluoromethoxy)benzene

C8H5BrClF3OCAS 261763-18-2289.48 g/mol

Open in Covalent MOL file
FFFOBrCl
Alkyl halideAryl halideEther

Properties

Molecular formula
C8H5BrClF3O
Molar mass
289.48 g/mol
Exact mass
287.9164 Da
logP
4.13Crippen estimate
Polar surface area
9.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Hazards

Danger
Corrosive (GHS05)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501

Identifiers

CAS number
261763-18-2
SMILES
FC(F)(F)Oc1ccc(CBr)cc1Cl
InChIKey
YTXRMMJPEBWDPE-UHFFFAOYSA-N
InChI
InChI=1S/C8H5BrClF3O/c9-4-5-1-2-7(6(10)3-5)14-8(11,12)13/h1-3H,4H2

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Names and synonyms

3 names
  • Benzene, 4-(bromomethyl)-2-chloro-1-(trifluoromethoxy)-
  • 4-Bromomethyl-2-chloro-1-trifluoromethoxybenzene
  • 3-Chloro-4-trifluoromethoxybenzyl bromide

Work with 4-(Bromomethyl)-2-chloro-1-(trifluoromethoxy)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

1,3-Dichloro-4-(trifluoromethoxy)benzene451-85-458 % similar 1-(Bromomethyl)-3-(trifluoromethoxy)benzene159689-88-055 % similar 3-Chloro-4-(trifluoromethoxy)aniline64628-73-555 % similar 2-(Trifluoromethoxy)chlorobenzene450-96-454 % similar 3,4-Dichlorobenzyl bromide18880-04-153 % similar 4-Trifluoromethoxybenzyl bromide50824-05-053 % similar 3-Chloro-4-fluorobenzyl bromide192702-01-551 % similar 4-Chloro-3-(trifluoromethyl)benzyl bromide261763-23-951 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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