1H-Imidazole, 5-chloro-1-methyl-, nitrate (1:1)

C₄H₆ClN₃O₃CAS 4531-53-7179.56 g/mol

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Aryl halide Nitro

Properties

Molecular formula: C₄H₆ClN₃O₃
Molar mass: 179.56 g/mol
Exact mass: 179.0098 Da
Melting point: 144–145 °C (decomposes)
logP: 0.73Crippen estimate
Polar surface area: 81.2 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 0

Identifiers

CAS number

4531-53-7

SMILES

Cn1cncc1Cl.O=[N+]([O-])O

InChIKey

PPAZZUWYNLCOAK-UHFFFAOYSA-N

InChI

InChI=1S/C4H5ClN2.HNO3/c1-7-3-6-2-4(7)5;2-1(3)4/h2-3H,1H3;(H,2,3,4)

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

Names and synonyms

2 names

Imidazole, 5-chloro-1-methyl-, nitrate
1H-Imidazole, 5-chloro-1-methyl-, mononitrate

Work with 1H-Imidazole, 5-chloro-1-methyl-, nitrate (1:1)

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

5-Chloro-1-methyl-1H-imidazole872-49-161 % similar Pilocarpine nitrate148-72-144 % similar Nitric acid7697-37-239 % similar 5-Bromo-1-methyl-1H-imidazole1003-21-038 % similar 5-Chloro-1-methyl-4-nitroimidazole4897-25-036 % similar Palladium(II) nitrate10102-05-335 % similar Rhodium(III) nitrate10139-58-935 % similar Zirconium nitrate13746-89-935 % similar

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

Elsewhere

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