4-Chloro-4′-nitrobenzophenone

C13H8ClNO3CAS 7497-60-1261.66 g/mol

Open in Covalent MOL file
OClN+OO−
Aryl halideKetoneNitro

Properties

Molecular formula
C13H8ClNO3
Molar mass
261.66 g/mol
Exact mass
261.0193 Da
Melting point
90–94 °C
logP
3.48Crippen estimate
Polar surface area
60.2 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
7497-60-1
SMILES
O=C(c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1
InChIKey
CLFRUWPJQKSRRT-UHFFFAOYSA-N
InChI
InChI=1S/C13H8ClNO3/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(8-4-10)15(17)18/h1-8H

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Names and synonyms

7 names
  • Methanone, (4-chlorophenyl)(4-nitrophenyl)-
  • Benzophenone, 4-chloro-4′-nitro-
  • (4-Chlorophenyl)(4-nitrophenyl)methanone
  • 4-Nitro-4′-chlorobenzophenone
  • 4′-Chloro-4-nitrobenzophenone
  • NSC 406624
  • 4-Chloro-4'-nitrobenzophenone

Work with 4-Chloro-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-Nitrochlorobenzene100-00-572 % similar 4-Nitrobenzophenone1144-74-770 % similar 3,4'-Dinitrobenzophenone1469-74-567 % similar 4-Fluoro-4'-nitrobenzophenone2195-47-366 % similar 4,4′-Dichlorobenzophenone90-98-262 % similar 4-Chloro-4'-nitrodiphenyl sulfide21969-11-960 % similar 4-Nitrobenzoyl chloride122-04-357 % similar 3,3′-Dinitrobenzophenone21222-05-956 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Chloro-5-nitrobenzophenone34052-37-4 4-Chloro-3-nitrobenzophenone56107-02-9

Elsewhere

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