1H-Indol-3-ol, 1-acetyl-5-bromo-4-chloro-, acetate (ester)

• CAS: 3030-06-6
• Catalog Number: ACM3030066
• Category: Indoles
• Molecular Weight: 330.56
• Molecular Formula: C12H9BrClNO3
• Synonyms: Ethanone,1-[3-(acetyloxy)-5-bromo-4-chloro-1H-indol-1-yl]-;Indoxyl,1-acetyl-5-bromo-4-chloro-, acetate (6CI);1-Acetyl-5-bromo-4-chloro-1H-indol-3-yl acetate
• Boiling Point: 429.5 °C at 760 mmHg
• Melting Point: 165-168 °C(lit.)
• Flash Point: 213.5 °C
• Density: 1.64 g/cm³

Custom Q&A

What is the molecular formula of the compound?

The molecular formula is C12H9BrClNO3.

What is the molecular weight of the compound?

The molecular weight is 330.56 g/mol.

What is the IUPAC name of the compound?

The IUPAC name of the compound is (1-acetyl-5-bromo-4-chloroindol-3-yl) acetate.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C12H9BrClNO3/c1-6(16)15-5-10(18-7(2)17)11-9(15)4-3-8(13)12(11)14/h3-5H,1-2H3.

What is the InChIKey of the compound?

The InChIKey of the compound is DSHQTSIXXYZXGR-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is CC(=O)N1C=C(C2=C1C=CC(=C2Cl)Br)OC(=O)C.

What is the CAS number of the compound?

The CAS number of the compound is 3030-06-6.

What is the European Community (EC) number of the compound?

The European Community (EC) number of the compound is 221-200-6.

What is the DSSTox Substance ID of the compound?

The DSSTox Substance ID of the compound is DTXSID80184392.

What is the topological polar surface area of the compound?

The topological polar surface area of the compound is 48.3 ?2.