2-Chloro-5-nitrobenzoyl chloride

C₇H₃Cl₂NO₃CAS 25784-91-2220.00 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: 60–61 °C
logP: 2.63Crippen estimate
Polar surface area: 60.2 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

Identifiers

CAS number

25784-91-2

SMILES

O=C(Cl)c1cc([N+](=O)[O-])ccc1Cl

InChIKey

OGLKKYALUKXVPQ-UHFFFAOYSA-N

InChI

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

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Names and synonyms

1 names

Benzoyl chloride, 2-chloro-5-nitro-

Work with 2-Chloro-5-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

2′-Chloro-5′-nitroacetophenone23082-50-067 % similar 2-Chloro-5-nitrobenzoic acid2516-96-367 % similar 2-Chloro-5-nitrobenzophenone34052-37-462 % similar Methyl 2-chloro-5-nitrobenzoate6307-82-062 % similar 1,2-Dichloro-4-nitrobenzene99-54-760 % similar 3-Nitrobenzoyl chloride121-90-459 % similar 4-Nitrobenzoyl chloride122-04-357 % similar 2,4-Dinitrochlorobenzene97-00-757 % similar

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

Same formula

4-Chloro-3-nitrobenzoyl chloride38818-50-7 2-Chloro-4-nitrobenzoyl chloride7073-36-1

Elsewhere

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