4-Chloro-3-nitrobenzoyl chloride

C₇H₃Cl₂NO₃CAS 38818-50-7220.00 g/mol

Open in Covalent MOL file

Acyl halide Aryl halide Nitro

Properties

Molecular formula: C₇H₃Cl₂NO₃
Molar mass: 220.00 g/mol
Exact mass: 218.9490 Da
Melting point: 52–54 °C
logP: 2.63Crippen estimate
Polar surface area: 60.2 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

Identifiers

CAS number

38818-50-7

SMILES

O=C(Cl)c1ccc(Cl)c([N+](=O)[O-])c1

InChIKey

IWLGXPWQZDOMSB-UHFFFAOYSA-N

InChI

InChI=1S/C7H3Cl2NO3/c8-5-2-1-4(7(9)11)3-6(5)10(12)13/h1-3H

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Names and synonyms

3 names

Benzoyl chloride, 4-chloro-3-nitro-
3-Nitro-4-chlorobenzoyl chloride
4-Chloro-3-nitrobenzoic acid chloride

Work with 4-Chloro-3-nitrobenzoyl 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

4-Methyl-3-nitrobenzoyl chloride10397-30-568 % similar 1-(4-Chloro-3-nitrophenyl)ethanone5465-65-666 % similar 4-Chloro-3-nitrobenzoic acid96-99-166 % similar 4-Chloro-3-nitrobenzophenone56107-02-963 % similar 3-Nitrobenzoyl chloride121-90-461 % similar 4-Chloro-3-nitrobenzamide16588-06-060 % similar (4-Chloro-3-nitrophenyl)(4-fluorophenyl)methanone31431-16-060 % similar 4-Bromo-1-chloro-2-nitrobenzene16588-24-259 % similar

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

Same formula

2-Chloro-5-nitrobenzoyl chloride25784-91-2 2-Chloro-4-nitrobenzoyl chloride7073-36-1

Elsewhere

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