Dodecyl 4-chloro-3-nitrobenzoate

C₁₉H₂₈ClNO₄CAS 124809-77-4369.89 g/mol

Open in Covalent MOL file

Aryl halide Ester Nitro

Properties

Molecular formula: C₁₉H₂₈ClNO₄
Molar mass: 369.89 g/mol
Exact mass: 369.1707 Da
logP: 6.33Crippen estimate
Polar surface area: 69.4 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 13

Identifiers

CAS number

124809-77-4

SMILES

CCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1)Cl)[N+](=O)[O-]

InChIKey

ZWKWRFBNNJDURM-UHFFFAOYSA-N

InChI

InChI=1S/C19H28ClNO4/c1-2-3-4-5-6-7-8-9-10-11-14-25-19(22)16-12-13-17(20)18(15-16)21(23)24/h12-13,15H,2-11,14H2,1H3

Weigh it out

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

Work with Dodecyl 4-chloro-3-nitrobenzoate

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

Ethyl 4-chloro-3-nitrobenzoate16588-16-271 % similar Hexadecyl 3-amino-4-chlorobenzoate143269-74-365 % similar Dodecyl 3-amino-4-chlorobenzoate6195-20-665 % similar 1-(4-Chloro-3-nitrophenyl)ethanone5465-65-652 % similar Hexyl benzoate6789-88-451 % similar Octyl benzoate94-50-851 % similar Hexyl 4-hydroxybenzoate1083-27-851 % similar Heptylparaben1085-12-751 % similar

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

Elsewhere

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