chempirical

Esi-09

C16H15ClN4O2CAS 263707-16-0330.77 g/mol

Open in Covalent MOL file
NOONHNClN
Aryl halideHydrazoneKetoneNitrileSecondary amine

Properties

Molecular formula
C16H15ClN4O2
Molar mass
330.77 g/mol
Exact mass
330.0884 Da
logP
3.80Crippen estimate
Polar surface area
91.3 Ų
H-bond donors / acceptors
1 / 6
Rotatable bonds
4
Double bonds
EE/Z, in SMILES order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
263707-16-0
SMILES
CC(C)(C)C1=CC(=NO1)C(=O)/C(=N/NC2=CC(=CC=C2)Cl)/C#N
InChIKey
DXEATJQGQHDURZ-DEDYPNTBSA-N
InChI
InChI=1S/C16H15ClN4O2/c1-16(2,3)14-8-12(21-23-14)15(22)13(9-18)20-19-11-6-4-5-10(17)7-11/h4-8,19H,1-3H3/b20-13+

Weigh it out

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Names and synonyms

1 names
  • Esi 09

Work with Esi-09

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

Carbonyl cyanide M-chlorophenyl hydrazone555-60-246 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook