1-Amino-2-bromo-4-hydroxy-9,10-anthracenedione

C₁₄H₈BrNO₃CAS 116-82-5318.13 g/mol

Open in Covalent MOL file

Aryl halide Ketone Phenol Primary amine

Properties

Molecular formula: C₁₄H₈BrNO₃
Molar mass: 318.13 g/mol
Exact mass: 316.9688 Da
Melting point: 232 °C
logP: 2.51Crippen estimate
Polar surface area: 80.4 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 0

Identifiers

CAS number

116-82-5

SMILES

Nc1c(Br)cc(O)c2c1C(=O)c1ccccc1C2=O

InChIKey

MSSQDESMUMSQEN-UHFFFAOYSA-N

InChI

InChI=1S/C14H8BrNO3/c15-8-5-9(17)10-11(12(8)16)14(19)7-4-2-1-3-6(7)13(10)18/h1-5,17H,16H2

Weigh it out

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

Names and synonyms

15 names · show all

9,10-Anthracenedione, 1-amino-2-bromo-4-hydroxy-
Anthraquinone, 1-amino-2-bromo-4-hydroxy-
1-Amino-2-bromo-4-hydroxyanthraquinone
1-Amino-4-hydroxy-2-bromoanthraquinone
1-Amino-2-bromo-4-hydroxy-9,10-anthraquinone
C.I. Disperse violet 17
Sumikaron red 3B
Latyl red B
Resiren red T 3B
Sandoplast red 2B
Intratherm red P 1339
Disperse violet 17
NSC 176660
Red P 1339
DV 17

Work with 1-Amino-2-bromo-4-hydroxy-9,10-anthracenedione

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-Amino-2,4-dibromo-9,10-anthracenedione81-49-273 % similar Disperse red 6017418-58-560 % similar 1,2,4-Trihydroxyanthraquinone81-54-956 % similar 1-Amino-4-bromo-9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acid116-81-455 % similar Disperse violet 2881-42-554 % similar 1-Amino-4-hydroxyanthraquinone116-85-854 % similar Sodium 1-amino-4-bromoanthraquinone-2-sulfonate6258-06-650 % similar 1,4-Diamino-9,10-dihydro-9,10-dioxo-2,3-anthracenedicarbonitrile81-41-448 % similar

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

Elsewhere

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