2-Chloro-5-methyl-1,4-benzoquinone

C₇H₅ClO₂CAS 19832-87-2156.56 g/mol

Open in Covalent MOL file

Alkene Ketone Vinyl halide

Properties

Molecular formula: C₇H₅ClO₂
Molar mass: 156.56 g/mol
Exact mass: 155.9978 Da
Melting point: 103.7–104.8 °C
logP: 1.21Crippen estimate
Polar surface area: 34.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Identifiers

CAS number

19832-87-2

SMILES

CC1=CC(=O)C(Cl)=CC1=O

InChIKey

BIUBEGIHROOPTQ-UHFFFAOYSA-N

InChI

InChI=1S/C7H5ClO2/c1-4-2-7(10)5(8)3-6(4)9/h2-3H,1H3

Weigh it out

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

Names and synonyms

5 names

2,5-Cyclohexadiene-1,4-dione, 2-chloro-5-methyl-
p-Benzoquinone, 2-chloro-5-methyl-
2-Chloro-5-methyl-2,5-cyclohexadiene-1,4-dione
5-Chloro-2-methyl-1,4-benzoquinone
2-Chloro-5-methyl-p-benzoquinone

Work with 2-Chloro-5-methyl-1,4-benzoquinone

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

2,5-Dichloro-1,4-benzoquinone615-93-067 % similar Thymoquinone490-91-547 % similar Methyl-1,4-benzoquinone553-97-941 % similar Chloro-1,4-benzoquinone695-99-841 % similar 2,3-Dimethoxy-5-methyl-1,4-benzoquinone605-94-735 % similar 3-Methyl-2-butenoyl chloride3350-78-531 % similar 2,6-Dimethyl-1,4-benzoquinone527-61-731 % similar 2,6-Dichloro-1,4-benzoquinone697-91-631 % similar

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

Same formula

2-Chlorobenzoic acid118-91-2 Phenyl chloroformate1885-14-9 3-Chloro-4-hydroxybenzaldehyde2420-16-8 3-Chlorobenzoic acid535-80-8 2-Chloro-4-hydroxybenzaldehyde56962-11-9 5-Chlorosalicylaldehyde635-93-8 5-Chloro-1,3-benzodioxole7228-38-8 4-Chlorobenzoic acid74-11-3

Elsewhere

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