4-Chloro-3-nitrobenzophenone

C₁₃H₈ClNO₃CAS 56107-02-9261.66 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: 105 °C
Boiling point: 235 °C (at 13 Torr)
logP: 3.48Crippen estimate
Polar surface area: 60.2 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 3

Identifiers

CAS number

56107-02-9

SMILES

O=C(c1ccccc1)c1ccc(Cl)c([N+](=O)[O-])c1

InChIKey

YBDBYPQFIMSFJW-UHFFFAOYSA-N

InChI

InChI=1S/C13H8ClNO3/c14-11-7-6-10(8-12(11)15(17)18)13(16)9-4-2-1-3-5-9/h1-8H

Weigh it out

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

Names and synonyms

5 names

Methanone, (4-chloro-3-nitrophenyl)phenyl-
Benzophenone, 4-chloro-3-nitro-
(4-Chloro-3-nitrophenyl)phenylmethanone
3-Nitro-4-chlorobenzophenone
NSC 102519

Work with 4-Chloro-3-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-Chloro-3-nitrophenyl)(4-fluorophenyl)methanone31431-16-075 % similar 4-Amino-3-nitrobenzophenone31431-19-368 % similar 2-(4-Chloro-3-nitrobenzoyl)benzoic acid85-54-167 % similar 3-Nitrobenzophenone2243-80-364 % similar 4-Chloro-3-nitrobenzoyl chloride38818-50-763 % similar 3,4-Dichlorobenzophenone6284-79-362 % similar 1-(4-Chloro-3-nitrophenyl)ethanone5465-65-661 % similar 4-Chloro-3-nitrobenzoic acid96-99-161 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-Chloro-5-nitrobenzophenone34052-37-4 4-Chloro-4′-nitrobenzophenone7497-60-1

Elsewhere

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