2,7-Dibromo-phenanthrene-9,10-dione

• CAS: 84405-44-7
• Catalog Number: ACM84405447-1
• Category: Bromine Series
• Molecular Weight: 366
• Molecular Formula: C14H6Br2O2
• Synonyms: 2,7-DIBROMO-9,10-PHENANTHRENEDIONE;2,7-dibromo-phenanthrene-9,10-dione;2,7-Dibromo-9,10-phenanthrenequinone
• IUPAC Name: 2,7-dibromophenanthrene-9,10-dione
• Canonical SMILES: C1=CC2=C(C=C1Br)C(=O)C(=O)C3=C2C=CC(=C3)Br
• InChI: InChI=1S/C14H6Br2O2/c15-7-1-3-9-10-4-2-8(16)6-12(10)14(18)13(17)11(9)5-7/h1-6H
• InChI Key: LTZIIBSPYWTOQV-UHFFFAOYSA-N
• Boiling Point: 331 °C
• Melting Point: 503.8 ± 43.0 °C
• Density: 1.911 g/ml
• Complexity: 346
• Covalently-Bonded Unit Count: 1
• Exact Mass: 365.87141g/mol
• Formal Charge: 0
• H-Bond Acceptor: 2
• H-Bond Donor: 0
• Heavy Atom Count: 18
• Monoisotopic Mass: 363.87345g/mol
• NSC Number: 102364
• Rotatable Bond Count: 0
• XLogP3: 3.9

Custom Q&A

What is the molecular formula of 2,7-Dibromo-phenanthrene-9,10-dione?

The molecular formula is C14H6Br2O2.

What is the molecular weight of 2,7-Dibromo-phenanthrene-9,10-dione?

The molecular weight is 366.00 g/mol.

What is the IUPAC name of 2,7-Dibromo-phenanthrene-9,10-dione?

The IUPAC name is 2,7-dibromophenanthrene-9,10-dione.

What is the InChI of 2,7-Dibromo-phenanthrene-9,10-dione?

The InChI is InChI=1S/C14H6Br2O2/c15-7-1-3-9-10-4-2-8(16)6-12(10)14(18)13(17)11(9)5-7/h1-6H.

What is the InChIKey of 2,7-Dibromo-phenanthrene-9,10-dione?

The InChIKey is LTZIIBSPYWTOQV-UHFFFAOYSA-N.

What is the canonical SMILES of 2,7-Dibromo-phenanthrene-9,10-dione?

The canonical SMILES is C1=CC2=C(C=C1Br)C(=O)C(=O)C3=C2C=CC(=C3)Br.

What is the CAS number of 2,7-Dibromo-phenanthrene-9,10-dione?

The CAS number is 84405-44-7.

What is the European Community (EC) Number of 2,7-Dibromo-phenanthrene-9,10-dione?

The European Community (EC) Number is 805-819-4.

What is the ChEMBL ID of 2,7-Dibromo-phenanthrene-9,10-dione?

The ChEMBL ID is CHEMBL4435774.

Is 2,7-Dibromo-phenanthrene-9,10-dione a canonicalized compound?

Yes, 2,7-Dibromo-phenanthrene-9,10-dione is canonicalized.