chempirical

5-Methylfuran-2-carbonyl chloride

C6H5ClO2CAS 14003-11-3144.55 g/mol

Open in Covalent MOL file
OOCl
Acyl halide

Properties

Molecular formula
C6H5ClO2
Molar mass
144.55 g/mol
Exact mass
143.9978 Da
logP
1.97Crippen estimate
Polar surface area
30.2 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
14003-11-3
SMILES
CC1=CC=C(O1)C(=O)Cl
InChIKey
ZURUVZFDEVKNCE-UHFFFAOYSA-N
InChI
InChI=1S/C6H5ClO2/c1-4-2-3-5(9-4)6(7)8/h2-3H,1H3

Weigh it out

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

Work with 5-Methylfuran-2-carbonyl 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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Acetyl-5-methylfuran1193-79-957 % similar 1-(5-Methyl-2-furanyl)-1-propanone10599-69-652 % similar Methyl 5-methyl-2-furancarboxylate2527-96-052 % similar 5-Nitro-2-furoyl chloride25084-14-447 % similar 2,5-Dimethyl-3-furancarbonyl chloride50990-93-747 % similar 2,5-Dimethylfuran625-86-544 % similar 2-Furoyl chloride527-69-544 % similar 5-Methyl-3-isoxazolecarbonyl chloride39499-34-843 % similar

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

Same formula

4-Chlorocatechol2138-22-9 Chlorohydroquinone615-67-8 2-Chlororesorcinol6201-65-6 4-Chlororesorcinol95-88-5

Elsewhere

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