2'-Bromo-3-fluoropropiophenone

• CAS: 92821-83-5
• Catalog Number: ACM92821835
• Category: Other Products
• Molecular Weight: 231.0616232
• Molecular Formula: C9H8 Br F O
• Synonyms: 2-bromo-3-fluoropropiophenone
• IUPAC Name: 2-bromo-3-fluoro-1-phenylpropan-1-one
• SMILES: CC(C(=O)C1=CC(=CC=C1)F)Br
• InChI Key: HAROKKDPKJAWRY-UHFFFAOYSA-N
• Boiling Point: 255ºC at 760 mmHg
• Flash Point: 108ºC
• Density: 1.488g/cm³
• Exact Mass: 229.97400
• H-Bond Acceptor: 2
• H-Bond Donor: 0

Custom Q&A

What is the molecular formula of 2'-Bromo-3-fluoropropiophenone?

The molecular formula is C9H8BrFO.

What is the molecular weight of 2'-Bromo-3-fluoropropiophenone?

The molecular weight is 231.06 g/mol.

What is the IUPAC name of 2'-Bromo-3-fluoropropiophenone?

The IUPAC name is 2-bromo-3-fluoro-1-phenylpropan-1-one.

What is the InChI of 2'-Bromo-3-fluoropropiophenone?

The InChI is InChI=1S/C9H8BrFO/c10-8(6-11)9(12)7-4-2-1-3-5-7/h1-5,8H,6H2.

What is the InChIKey of 2'-Bromo-3-fluoropropiophenone?

The InChIKey is HAROKKDPKJAWRY-UHFFFAOYSA-N.

What is the canonical SMILES of 2'-Bromo-3-fluoropropiophenone?

The canonical SMILES is C1=CC=C(C=C1)C(=O)C(CF)Br.

What is the XLogP3-AA value of 2'-Bromo-3-fluoropropiophenone?

The XLogP3-AA value is 2.8.

How many hydrogen bond donor counts does 2'-Bromo-3-fluoropropiophenone have?

It has 0 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does 2'-Bromo-3-fluoropropiophenone have?

It has 2 hydrogen bond acceptor counts.

How many rotatable bond counts does 2'-Bromo-3-fluoropropiophenone have?

It has 3 rotatable bond counts.