1-Amino-4-bromo-9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acid

C₁₄H₈BrNO₅SCAS 116-81-4382.18 g/mol

Open in Covalent MOL file

Alcohol Halogen Ketone Primary Amine Sulfone

Properties

Molecular formula: C₁₄H₈BrNO₅S
Molar mass: 382.18 g/mol
Exact mass: 380.9307 Da
logP: 2.05Crippen estimate
Polar surface area: 114.5 Å²
H-bond donors / acceptors: 2 / 5
Rotatable bonds: 1

Identifiers

CAS number

116-81-4

SMILES

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

InChIKey

QZZSAWGVHXXMID-UHFFFAOYSA-N

InChI

InChI=1S/C14H8BrNO5S/c15-8-5-9(22(19,20)21)12(16)11-10(8)13(17)6-3-1-2-4-7(6)14(11)18/h1-5H,16H2,(H,19,20,21)

Weigh it out

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

Names and synonyms

12 names

2-Anthracenesulfonic acid, 1-amino-4-bromo-9,10-dihydro-9,10-dioxo-
2-Anthraquinonesulfonic acid, 1-amino-4-bromo-
Alizarine cyanol grey G
Bromamine acid
Bromaminic acid
1-Amino-2-sulfonato-4-bromo-9,10-anthraquinone
1-Amino-4-bromoanthraquinone-2-sulfonic acid
NSC 7574
4-Bromo-1-aminoanthraquinone-2-sulfonic acid
1-Amino-4-bromo-9,10-dioxo-9,10-dihydro-anthracene-2-sulfonic acid
1-Amino-4-bromo-9,10-dioxo-9,10-dihydroanthracene-2-sulfonicacid
1-Amino-4-bromo-9,10-dioxoanthracene-2-sulfonic acid

Work with 1-Amino-4-bromo-9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acid

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

Elsewhere

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