5-Bromoisatoic anhydride

• CAS: 4692-98-2
• Catalog Number: ACM-MO-4692982
• Category: Bromine Series; Anhydride Monomers
• Molecular Weight: 242.02 g/mol
• Molecular Formula: C8H4BrNO3
• Synonyms: 2H-3,1-Benzoxazine-2,4(1H)-dione, 6-bromo-
• IUPAC Name: 6-bromo-1H-3,1-benzoxazine-2,4-dione
• Canonical SMILES: Brc1ccc2NC(=O)OC(=O)c2c1
• InChI: 1S/C8H4BrNO3/c9-4-1-2-6-5(3-4)7(11)13-8(12)10-6/h1-3H,(H,10,12)
• InChI Key: DXSMYDSFWCOSFM-UHFFFAOYSA-N
• Melting Point: 280-285 °C (dec.) (lit.)
• Appearance: Off-White to Salmon Powder
• Application: This product is suitable for scientific research.
• Assay: 97%
• Complexity: 256
• Covalently-Bonded Unit Count: 1
• Exact Mass: 240.93746g/mol
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• Formal Charge: 0
• H-Bond Acceptor: 3
• H-Bond Donor: 1
• Heavy Atom Count: 13
• MDL Number: MFCD00016921
• Monoisotopic Mass: 240.93746g/mol
• NACRES: NA.23
• NSC Number: 149816
• PubChem ID: 24871407
• Quality Level: 100
• Rotatable Bond Count: 0
• Specific Gravity: 1.826
• XLogP3: 1.7

Custom Q&A

What is the molecular formula of 5-Bromoisatoic anhydride?

The molecular formula of 5-Bromoisatoic anhydride is C8H4BrNO3.

What is the molecular weight of 5-Bromoisatoic anhydride?

The molecular weight of 5-Bromoisatoic anhydride is 242.03 g/mol.

What is the IUPAC name of 5-Bromoisatoic anhydride?

The IUPAC name of 5-Bromoisatoic anhydride is 6-bromo-1H-3,1-benzoxazine-2,4-dione.

What is the InChI of 5-Bromoisatoic anhydride?

The InChI of 5-Bromoisatoic anhydride is InChI=1S/C8H4BrNO3/c9-4-1-2-6-5(3-4)7(11)13-8(12)10-6/h1-3H,(H,10,12).

What is the InChIKey of 5-Bromoisatoic anhydride?

The InChIKey of 5-Bromoisatoic anhydride is DXSMYDSFWCOSFM-UHFFFAOYSA-N.

What is the CAS number of 5-Bromoisatoic anhydride?

The CAS number of 5-Bromoisatoic anhydride is 4692-98-2.

What is the European Community (EC) Number of 5-Bromoisatoic anhydride?

The European Community (EC) Number of 5-Bromoisatoic anhydride is 628-334-8.

What is the ChEMBL ID of 5-Bromoisatoic anhydride?

The ChEMBL ID of 5-Bromoisatoic anhydride is CHEMBL2144340.

Is 5-Bromoisatoic anhydride a canonicalized compound?

Yes, 5-Bromoisatoic anhydride is a canonicalized compound.