4-Bromo-4'-methoxybenzophenone

C₁₄H₁₁BrO₂CAS 54118-75-1291.14 g/mol

Open in Covalent MOL file

Aryl halide Ether Ketone

Properties

Molecular formula: C₁₄H₁₁BrO₂
Molar mass: 291.14 g/mol
Exact mass: 289.9942 Da
logP: 3.69Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 3

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

54118-75-1

SMILES

COC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)Br

InChIKey

VFMPCNWWYIQPCN-UHFFFAOYSA-N

InChI

InChI=1S/C14H11BrO2/c1-17-13-8-4-11(5-9-13)14(16)10-2-6-12(15)7-3-10/h2-9H,1H3

Weigh it out

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

Work with 4-Bromo-4'-methoxybenzophenone

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

4,4′-Dimethoxybenzophenone90-96-078 % similar 4-Methoxybenzophenone611-94-968 % similar 4-Bromoanisole104-92-767 % similar 4,4′-Dibromobenzophenone3988-03-267 % similar 4-Fluoro-4'-methoxybenzophenone345-89-164 % similar 4-Bromobenzophenone90-90-458 % similar 4,4′-Dimethoxybenzil1226-42-255 % similar 4-Bromo-N,N-bis(4-methoxyphenyl)aniline194416-45-055 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-[(4-Bromophenyl)methoxy]benzaldehyde149833-95-4

Elsewhere

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