5-Bromo-2-benzoxazolinone

• Catalog Number: ACM14733734
• Product Name: 5-Bromo-2-benzoxazolinone
• CAS: 14733-73-4
• Category: Heterocyclic Organic Compound
• Synonyms: 5-Bromo-2-benzoxazolinone, 5-Bromo-2(3H)-benzoxazolone, 653454_ALDRICH, BRN 0136259, 2-BENZOXAZOLINONE, 5-BROMO-, CID26853, LS-42263, 4-27-00-02684 (Beilstein Handbook Reference), 14733-73-4
• IUPAC Name: 5-bromo-3H-1,3-benzoxazol-2-one
• Molecular Weight: 214.02
• Molecular Formula: C₇H₄BrNO₂
• Canonical SMILES: C1=CC2=C(C=C1Br)NC(=O)O2
• InChI Key: DMHTZWJRUUOALC-UHFFFAOYSA-N
• Exact Mass: 212.94300
• H-Bond Acceptor: 2
• H-Bond Donor: 1

Custom Reviews

May 23, 2023

A useful organic intermediate.

The hydrogen atom in the third position of 5-Bromo-2-benzoxazolinone reacts with formaldehyde to synthesize functional compounds.

Custom Q&A

What is the molecular formula of 5-Bromo-2-benzoxazolinone?

The molecular formula of 5-Bromo-2-benzoxazolinone is C7H4BrNO2.

What is the molecular weight of 5-Bromo-2-benzoxazolinone?

The molecular weight of 5-Bromo-2-benzoxazolinone is 214.02 g/mol.

What is the IUPAC name of 5-Bromo-2-benzoxazolinone?

The IUPAC name of 5-Bromo-2-benzoxazolinone is 5-bromo-3H-1,3-benzoxazol-2-one.

What is the InChI of 5-Bromo-2-benzoxazolinone?

The InChI of 5-Bromo-2-benzoxazolinone is InChI=1S/C7H4BrNO2/c8-4-1-2-6-5(3-4)9-7(10)11-6/h1-3H,(H,9,10).

What is the InChIKey of 5-Bromo-2-benzoxazolinone?

The InChIKey of 5-Bromo-2-benzoxazolinone is DMHTZWJRUUOALC-UHFFFAOYSA-N.

What is the canonical SMILES of 5-Bromo-2-benzoxazolinone?

The canonical SMILES of 5-Bromo-2-benzoxazolinone is C1=CC2=C(C=C1Br)NC(=O)O2.

What is the CAS number of 5-Bromo-2-benzoxazolinone?

The CAS number of 5-Bromo-2-benzoxazolinone is 14733-73-4.

What is the EC number of 5-Bromo-2-benzoxazolinone?

The EC number of 5-Bromo-2-benzoxazolinone is 626-861-8.

What is the DSSTox Substance ID of 5-Bromo-2-benzoxazolinone?

The DSSTox Substance ID of 5-Bromo-2-benzoxazolinone is DTXSID50163679.

Is 5-Bromo-2-benzoxazolinone a canonicalized compound?

Yes, 5-Bromo-2-benzoxazolinone is a canonicalized compound according to PubChem.