4-Chloro-4′-nitrobenzophenone

C₁₃H₈ClNO₃CAS 7497-60-1261.66 g/mol

Open in Covalent MOL file

Aryl halide Ketone Nitro

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 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 3

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

6 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

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 4,4'-Dichlorobenzophenone90-98-262 % similar 3,3′-Dinitrobenzophenone21222-05-956 % similar 3-Nitrobenzophenone2243-80-355 % similar 4-Chlorobenzophenone134-85-055 % similar 4-Nitrobenzamide619-80-754 % similar P-Nitroacetophenone100-19-653 % 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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