4-Fluoro-4'-nitrobenzophenone

C₁₃H₈FNO₃CAS 2195-47-3245.21 g/mol

Open in Covalent MOL file

Aryl halide Ketone Nitro

Properties

Molecular formula: C₁₃H₈FNO₃
Molar mass: 245.21 g/mol
Exact mass: 245.0488 Da
logP: 2.96Crippen estimate
Polar surface area: 60.2 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 3

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% 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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

2195-47-3

SMILES

C1=CC(=CC=C1C(=O)C2=CC=C(C=C2)F)[N+](=O)[O-]

InChIKey

ICDAYOOBGHYICW-UHFFFAOYSA-N

InChI

InChI=1S/C13H8FNO3/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(8-4-10)15(17)18/h1-8H

Weigh it out

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

Names and synonyms

1 names

Methanone, (4-fluorophenyl)(4-nitrophenyl)-

Work with 4-Fluoro-4'-nitrobenzophenone

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-Fluoronitrobenzene350-46-972 % similar 4-Nitrobenzophenone1144-74-770 % similar 4-Chloro-4′-nitrobenzophenone7497-60-166 % similar (4-Chloro-3-nitrophenyl)(4-fluorophenyl)methanone31431-16-063 % similar 3,4'-Dinitrobenzophenone1469-74-562 % similar 4,4′-Difluorobenzophenone345-92-662 % similar 4-Fluorobenzophenone345-83-555 % similar 4-Nitrobenzamide619-80-754 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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