2,5-Dimethyl-3-furancarbonyl chloride

C₇H₇ClO₂CAS 50990-93-7158.58 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₇ClO₂
Molar mass: 158.58 g/mol
Exact mass: 158.0135 Da
Melting point: 20 °C
Boiling point: 87–89 °C
logP: 2.28Crippen estimate
Polar surface area: 30.2 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Identifiers

CAS number

50990-93-7

SMILES

Cc1cc(C(=O)Cl)c(C)o1

InChIKey

RWORXZHVOUPMMM-UHFFFAOYSA-N

InChI

InChI=1S/C7H7ClO2/c1-4-3-6(7(8)9)5(2)10-4/h3H,1-2H3

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Names and synonyms

2 names

3-Furancarbonyl chloride, 2,5-dimethyl-
2,5-Dimethyl-3-furoyl chloride

Work with 2,5-Dimethyl-3-furancarbonyl chloride

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3-Acetyl-2,5-dimethylfuran10599-70-959 % similar 2,5-Dimethyl-3-furancarboxylic acid636-44-258 % similar 2,5-Dimethyl-β-oxo-3-furanpropanenitrile175276-62-749 % similar 5-Methyl-3-isoxazolecarbonyl chloride39499-34-844 % similar 2,4-Dimethylbenzoyl chloride21900-42-541 % similar 2-Methylbenzoyl chloride933-88-040 % similar 2,5-Dimethyl-3-furanthiol55764-23-339 % similar 2,3,4,5-Tetrachlorobenzoyl chloride42221-52-339 % similar

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

Same formula

2-Chloro-4-methoxyphenol18113-03-6 2-Chloro-5-methoxyphenol18113-04-7 5-Chloro-2-hydroxybenzenemethanol5330-38-1 3-Chloro-5-methoxyphenol65262-96-6

Elsewhere

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