3-Nitrobenzoyl chloride

C₇H₄ClNO₃CAS 121-90-4185.56 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: 36 °C
Boiling point: 276.5 °C
logP: 1.97Crippen estimate
Polar surface area: 60.2 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

Identifiers

CAS number

121-90-4

SMILES

O=C(Cl)c1cccc([N+](=O)[O-])c1

InChIKey

NXTNASSYJUXJDV-UHFFFAOYSA-N

InChI

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

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Names and synonyms

5 names

Benzoyl chloride, 3-nitro-
Benzoyl chloride, m-nitro-
m-Nitrobenzoyl chloride
3-Nitrobenzoic acid chloride
NSC 5380

Work with 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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3,5-Dinitrobenzoyl chloride99-33-270 % similar 3,3′-Dinitrobenzophenone21222-05-968 % similar 3-Nitrobenzoyl bromide13277-62-864 % similar 3-Nitrobenzophenone2243-80-362 % similar 4-Chloro-3-nitrobenzoyl chloride38818-50-761 % similar 2-Chloro-5-nitrobenzoyl chloride25784-91-259 % similar 2-Chloro-4-nitrobenzoyl chloride7073-36-159 % similar Sodium M-nitrobenzoate827-95-259 % similar

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

Same formula

4-Nitrobenzoyl chloride122-04-3 4-Chloro-3-nitrobenzaldehyde16588-34-4 4-Chloro-2-nitrobenzaldehyde5551-11-1 2-Nitrobenzoyl chloride610-14-0 2-Chloro-5-nitrobenzaldehyde6361-21-3 2-Chloro-6-nitrobenzaldehyde6361-22-4 5-Chloro-2-nitrobenzaldehyde6628-86-0

Elsewhere

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