1-Amino-5-chloroanthraquinone

C₁₄H₈ClNO₂CAS 117-11-3257.67 g/mol

Open in Covalent MOL file

Aryl halide Ketone Primary amine

Properties

Molecular formula: C₁₄H₈ClNO₂
Molar mass: 257.67 g/mol
Exact mass: 257.0244 Da
Melting point: 210 °C
logP: 2.70Crippen estimate
Polar surface area: 60.2 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 0

Identifiers

CAS number

117-11-3

SMILES

Nc1cccc2c1C(=O)c1cccc(Cl)c1C2=O

InChIKey

QIHMGEKACAOTPE-UHFFFAOYSA-N

InChI

InChI=1S/C14H8ClNO2/c15-9-5-1-3-7-11(9)13(17)8-4-2-6-10(16)12(8)14(7)18/h1-6H,16H2

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

Names and synonyms

8 names

9,10-Anthracenedione, 1-amino-5-chloro-
Anthraquinone, 1-amino-5-chloro-
1-Amino-5-chloro-9,10-anthracenedione
5-Chloro-1-aminoanthraquinone
1-Chloro-5-aminoanthraquinone
5-Amino-1-chloroanthraquinone
NSC 4996
1-Amino-5-chloro-9,10-dihydroanthracene-9,10-dione

Work with 1-Amino-5-chloroanthraquinone

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

1,5-Diaminoanthraquinone129-44-279 % similar 1,5-Dichloroanthraquinone82-46-275 % similar 1-Aminoanthraquinone82-45-171 % similar 1,8-Dichloroanthraquinone82-43-967 % similar 2-Amino-6-chlorobenzoic acid2148-56-362 % similar Disperse violet 1128-95-056 % similar N-(5-Amino-9,10-dihydro-9,10-dioxo-1-anthracenyl)benzamide117-06-650 % similar 2-Amino-2′,5-dichlorobenzophenone2958-36-350 % similar

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

Same formula

2-(4-Chlorophenyl)-1H-isoindole-1,3(2H)-dione7386-21-2

Elsewhere

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