4-Bromo-7-methoxy-indan-1-one

• CAS: 5411-61-0
• Catalog Number: ACM5411610
• Category: Bromine Series
• Molecular Weight: 241.08
• Molecular Formula: C₁₀H₈
• Synonyms: 4-Bromo-2,3-dihydro-7-methoxyinden-1-one;4-Bromo-7-methoxy-indan-1-one
• IUPAC Name: 4-bromo-7-methoxy-2,3-dihydroinden-1-one
• Canonical SMILES: COC1=C2C(=C(C=C1)Br)CCC2=O
• InChI Key: OJDMKCLDADYDRL-UHFFFAOYSA-N
• Boiling Point: 368.8ºC at 760 mmHg
• Flash Point: 176.8ºC
• Density: 1.553g/cm³
• Exact Mass: 239.97900
• Hazard Statements: H226-H304
• H-Bond Acceptor: 2
• H-Bond Donor: 0
• Symbol: GHS02

Custom Q&A

What is the molecular formula of 4-Bromo-7-methoxy-indan-1-one?

The molecular formula is C10H9BrO2.

What is the molecular weight of 4-Bromo-7-methoxy-indan-1-one?

The molecular weight is 241.08 g/mol.

What is the IUPAC name of 4-Bromo-7-methoxy-indan-1-one?

The IUPAC name is 4-bromo-7-methoxy-2,3-dihydroinden-1-one.

What is the InChI code of 4-Bromo-7-methoxy-indan-1-one?

The InChI code is InChI=1S/C10H9BrO2/c1-13-9-5-3-7(11)6-2-4-8(12)10(6)9/h3,5H,2,4H2,1H3.

What is the InChIKey of 4-Bromo-7-methoxy-indan-1-one?

The InChIKey is OJDMKCLDADYDRL-UHFFFAOYSA-N.

What is the canonical SMILES of 4-Bromo-7-methoxy-indan-1-one?

The canonical SMILES is COC1=C2C(=C(C=C1)Br)CCC2=O.

What is the CAS number of 4-Bromo-7-methoxy-indan-1-one?

The CAS number is 5411-61-0.

What is the XLogP3-AA value of 4-Bromo-7-methoxy-indan-1-one?

The XLogP3-AA value is 2.3.

How many hydrogen bond donor count does 4-Bromo-7-methoxy-indan-1-one have?

It has 0 hydrogen bond donor count.

How many rotatable bond count does 4-Bromo-7-methoxy-indan-1-one have?

It has 1 rotatable bond count.