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Structure

2-BROMO-6,7-DIHYDRO-1H,5H-PYRROLO[2,3-C]AZEPINE-4,8-DIONE

CAS
96562-96-8
Catalog Number
ACM96562968
Category
Other Products
Molecular Weight
243.06
Molecular Formula
C8H7BrN2O2

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Specification

Synonyms
2-BROMO-6,7-DIHYDRO-1H,5H-PYRROLO[2,3-C]AZEPINE-4,8-DIONE
Appearance
White to off-white powder.
What is the molecular formula of 2-Bromo-6,7-dihydro-1H,5H-pyrrolo[2,3-c]azepine-4,8-dione?

The molecular formula is C8H7BrN2O2.

When was the compound created and last modified?

It was created on 2006-10-26 and last modified on 2023-12-30.

In which natural products is 2-Bromo-6,7-dihydro-1H,5H-pyrrolo[2,3-c]azepine-4,8-dione found?

It is found in Axinella verrucosa, Stylissa carteri, and other organisms.

What is the IUPAC name of 2-Bromo-6,7-dihydro-1H,5H-pyrrolo[2,3-c]azepine-4,8-dione?

The IUPAC name is 2-bromo-1,5,6,7-tetrahydropyrrolo[2,3-c]azepine-4,8-dione.

What is the InChI of 2-Bromo-6,7-dihydro-1H,5H-pyrrolo[2,3-c]azepine-4,8-dione?

The InChI is InChI=1S/C8H7BrN2O2/c9-6-3-4-5(12)1-2-10-8(13)7(4)11-6/h3,11H,1-2H2,(H,10,13).

What is the Canonical SMILES of the compound?

The Canonical SMILES is C1CNC(=O)C2=C(C1=O)C=C(N2)Br.

What is the molecular weight of 2-Bromo-6,7-dihydro-1H,5H-pyrrolo[2,3-c]azepine-4,8-dione?

The molecular weight is 243.06 g/mol.

How many hydrogen bond donor counts does the compound have?

It has 2 hydrogen bond donor counts.

What is the XLogP3-AA value of 2-Bromo-6,7-dihydro-1H,5H-pyrrolo[2,3-c]azepine-4,8-dione?

The XLogP3-AA value is 0.8.

Is the compound Canonicalized?

Yes, the compound is canonicalized.

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