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

CAS
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Purity
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CAS
84405-44-7
Size
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Purity
95%+
Price
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Availability
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Catalog Number

ACM84405447-1

Product Name

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

Structure

Structure

CAS

84405-44-7

Category

Bromine Series

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

Molecular Weight

366

Molecular Formula

C14H6Br2O2

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

MSDS

COA

Spec Sheet

Download Spec Sheet

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.

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