2-Nitrobenzoyl chloride

C₇H₄ClNO₃CAS 610-14-0185.56 g/mol

Open in Covalent MOL file

Acyl halide Nitro

Properties

Molecular formula: C₇H₄ClNO₃
Molar mass: 185.56 g/mol
Exact mass: 184.9880 Da
Melting point: 24–25 °C
Boiling point: 112 °C (at 1 Torr)
logP: 1.97Crippen estimate
Polar surface area: 60.2 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

Identifiers

CAS number

610-14-0

SMILES

O=C(Cl)c1ccccc1[N+](=O)[O-]

InChIKey

BWWHTIHDQBHTHP-UHFFFAOYSA-N

InChI

InChI=1S/C7H4ClNO3/c8-7(10)5-3-1-2-4-6(5)9(11)12/h1-4H

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Names and synonyms

4 names

Benzoyl chloride, 2-nitro-
Benzoyl chloride, o-nitro-
o-Nitrobenzoyl chloride
o-Nitrobenzoic acid chloride

Work with 2-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-Nitrobenzoic acid552-16-960 % similar Methyl 2-nitrobenzoate606-27-955 % similar 1,2-Dinitrobenzene528-29-055 % similar Phthaloyl chloride88-95-955 % similar 2-Nitrobenzamide610-15-154 % similar 1,5-Dinitro-9,10-anthracenedione82-35-953 % similar 1-Nitroanthraquinone82-34-853 % similar 1,8-Dinitro-9,10-anthracenedione129-39-551 % similar

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

Same formula

3-Nitrobenzoyl chloride121-90-4 4-Nitrobenzoyl chloride122-04-3 4-Chloro-3-nitrobenzaldehyde16588-34-4 4-Chloro-2-nitrobenzaldehyde5551-11-1 2-Chloro-5-nitrobenzaldehyde6361-21-3 2-Chloro-6-nitrobenzaldehyde6361-22-4 5-Chloro-2-nitrobenzaldehyde6628-86-0

Elsewhere

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