3,4-Dichlorobenzophenone

C₁₃H₈Cl₂OCAS 6284-79-3251.11 g/mol

Open in Covalent MOL file

Aryl halide Ketone

Properties

Molecular formula: C₁₃H₈Cl₂O
Molar mass: 251.11 g/mol
Exact mass: 249.9952 Da
Melting point: 102–103 °C
logP: 4.22Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Identifiers

CAS number

6284-79-3

SMILES

O=C(c1ccccc1)c1ccc(Cl)c(Cl)c1

InChIKey

LLUPHTAYNHAVQT-UHFFFAOYSA-N

InChI

InChI=1S/C13H8Cl2O/c14-11-7-6-10(8-12(11)15)13(16)9-4-2-1-3-5-9/h1-8H

Weigh it out

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Names and synonyms

7 names

Methanone, (3,4-dichlorophenyl)phenyl-
Benzophenone, 3,4-dichloro-
(3,4-Dichlorophenyl)phenylmethanone
3,4-Dichlorophenyl phenyl ketone
Phenyl 3,4-dichlorophenyl ketone
NSC 5249
(3,4-Dichlorophenyl)(phenyl)methanone

Work with 3,4-Dichlorobenzophenone

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

1,3-Dibenzoylbenzene3770-82-967 % similar 4-Chloro-3-nitrobenzophenone56107-02-962 % similar 1,4-Dibenzoylbenzene3016-97-562 % similar 3-Chlorobenzophenone1016-78-061 % similar 2-Chlorobenzophenone5162-03-861 % similar 4-Chlorobenzophenone134-85-060 % similar 3-Bromobenzophenone1016-77-956 % similar 3-Methylbenzophenone643-65-256 % similar

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

Same formula

2,5-Dichlorobenzophenone16611-67-9 2,4-Dichlorobenzophenone19811-05-3 3′,5′-Dichloro[1,1′-biphenyl]-4-carboxaldehyde221018-04-8 2,4′-Dichlorobenzophenone85-29-0 4,4'-Dichlorobenzophenone90-98-2

Elsewhere

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