3-(3,4-Dichlorobenzylidene)indolin-2-one

C15H9Cl2NOCAS 114727-43-4290.14 g/mol

Open in Covalent MOL file
ClClONH
AlkeneAmideAryl halideLactam

Properties

Molecular formula
C15H9Cl2NO
Molar mass
290.14 g/mol
Exact mass
289.0061 Da
logP
4.49Crippen estimate
Polar surface area
29.1 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1
Double bonds
ZE/Z, in SMILES order

Hazards

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

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Identifiers

CAS number
114727-43-4
SMILES
C1=CC=C2C(=C1)/C(=C/C3=CC(=C(C=C3)Cl)Cl)/C(=O)N2
InChIKey
RCJZXLNWNCVIMJ-XFFZJAGNSA-N
InChI
InChI=1S/C15H9Cl2NO/c16-12-6-5-9(8-13(12)17)7-11-10-3-1-2-4-14(10)18-15(11)19/h1-8H,(H,18,19)/b11-7-

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Names and synonyms

1 names
  • Nsc 247030

Work with 3-(3,4-Dichlorobenzylidene)indolin-2-one

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

3-(4-Fluorobenzylidene)indolin-2-one3476-86-661 % similar Su 494276086-99-261 % similar Isatin91-56-544 % similar 4-Chloroisatin6344-05-442 % similar 3,4-Dichlorocinnamic acid1202-39-740 % similar 7-Chloroisatin7477-63-640 % similar Isatin β-oxime607-28-338 % similar 3,4-Dichlorobenzaldehyde6287-38-338 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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