7-Bromo-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carbonitrile

• Catalog Number: ACMA00000618
• Category: Alkenyl
• Molecular Weight: 246.08
• Molecular Formula: C₆H₄BrN₃
• Hazard Statements: H319
• RIDADR: UN 2811 6.1 / PGIII
• Symbol: GHS07

Custom Q&A

What is the molecular formula of the compound?

The molecular formula is C7H4BrNO2S.

What is the molecular weight of the compound?

The molecular weight is 246.08 g/mol.

What is the IUPAC name of the compound?

The IUPAC name is 5-bromo-2,3-dihydrothieno[3,4-b][1,4]dioxine-7-carbonitrile.

What is the InChI code of the compound?

The InChI code is InChI=1S/C7H4BrNO2S/c8-7-6-5(4(3-9)12-7)10-1-2-11-6/h1-2H2.

What is the InChIKey of the compound?

The InChIKey is CNYIRGSQBVJHBW-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES is C1COC2=C(SC(=C2O1)C#N)Br.

What is the CAS number of the compound?

The CAS number is 884507-59-9.

What is the DSSTox Substance ID of the compound?

The DSSTox Substance ID is DTXSID70594643.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value is 2.4.

Is the compound considered to be canonicalized?

Yes, the compound is considered to be canonicalized.