chempirical

2,3-Dichloro-6-nitrobenzonitrile

C7H2Cl2N2O2CAS 2112-22-3217.00 g/mol

Open in Covalent MOL file
N+OO−NClCl
Aryl halideNitrileNitro

Properties

Molecular formula
C7H2Cl2N2O2
Molar mass
217.00 g/mol
Exact mass
215.9493 Da
logP
2.77Crippen estimate
Polar surface area
66.9 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Identifiers

CAS number
2112-22-3
SMILES
C1=CC(=C(C(=C1[N+](=O)[O-])C#N)Cl)Cl
InChIKey
RDFDRMZYAXQLRT-UHFFFAOYSA-N
InChI
InChI=1S/C7H2Cl2N2O2/c8-5-1-2-6(11(12)13)4(3-10)7(5)9/h1-2H

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Work with 2,3-Dichloro-6-nitrobenzonitrile

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-6-nitrobenzonitrile6575-07-168 % similar 2,3,4-Trichloronitrobenzene17700-09-363 % similar 2,6-Dinitrobenzonitrile35213-00-463 % similar 4-Chloro-3-nitrobenzonitrile939-80-057 % similar 3-Nitrophthalonitrile51762-67-556 % similar 2,3-Dichloronitrobenzene3209-22-154 % similar 4-Chloro-3,5-dinitrobenzonitrile1930-72-954 % similar 2-Methyl-6-nitrobenzonitrile1885-76-354 % similar

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

Same formula

2,6-Dichloro-3-nitrobenzonitrile5866-98-8

Elsewhere

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