2-Amino-6-chloro-3-formylchromone

C₁₀H₆ClNO₃CAS 68301-77-9223.61 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide Primary amine

Properties

Molecular formula: C₁₀H₆ClNO₃
Molar mass: 223.61 g/mol
Exact mass: 223.0036 Da
logP: 1.84Crippen estimate
Polar surface area: 73.3 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 1

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

68301-77-9

SMILES

C1=CC2=C(C=C1Cl)C(=O)C(=C(O2)N)C=O

InChIKey

GCFVPLUXLQEQJX-UHFFFAOYSA-N

InChI

InChI=1S/C10H6ClNO3/c11-5-1-2-8-6(3-5)9(14)7(4-13)10(12)15-8/h1-4H,12H2

Weigh it out

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Work with 2-Amino-6-chloro-3-formylchromone

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-Amino-6-bromo-3-formylchromone73262-04-167 % similar 2-Amino-3-formylchromone61424-76-863 % similar 6-Chloro-3-formylchromone42248-31-753 % similar 6-Chloro-4-hydroxycoumarin19484-57-240 % similar 6-Chloro-4-oxo-4H-1-benzopyran-3-carbonitrile50743-20-940 % similar 2-Amino-5-chlorobenzaldehyde20028-53-939 % similar 6-Chlorochromone33533-99-237 % similar 6-Chloro-4-oxo-4H-1-benzopyran-2-carboxylic acid5006-45-137 % similar

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

Same formula

7-Chlorokynurenic acid18000-24-3 5-(4-Chlorophenyl)isoxazole-3-carboxylic acid33282-22-3 6-Chloro-4-hydroxyquinoline-3-carboxylic acid35973-14-9 7-Chloro-4-hydroxyquinoline-3-carboxylic acid86-47-5

Elsewhere

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