3-Bromo-4-(difluoromethyl)pyridine

• CAS: 114468-05-2
• Catalog Number: ACM114468052
• Category: Other Products; Alkenyl
• Molecular Weight: 208.01
• Molecular Formula: C₆H₄BrF₂N
• Synonyms: 3-bromo-4-(difluoromethyl)pyridine, 114468-05-2, AC1LD0S5, SureCN3782423, CTK8G6091, MolPort-004-803-985, AKOS005259970, pyridine, 3-bromo-4-(difluoromethyl)-, AK150403, FT-0683864, I02-3907, InChI=1/C6H4BrF2N/c7-5-3-10-2-1-4(5)6(8)9/h1-3,6
• IUPAC Name: 3-bromo-4-(difluoromethyl)pyridine
• Canonical SMILES: C1=CN=CC(=C1C(F)F)Br
• InChI Key: KCMMLUVZVBBEFO-UHFFFAOYSA-N
• Exact Mass: 206.95000
• Hazard Statements: H302-H318
• H-Bond Acceptor: 3
• H-Bond Donor: 0
• RIDADR: NONH for all modes of transport
• Symbol: GHS05

Custom Q&A

What is the IUPAC name of the compound?

The IUPAC name of the compound is 3-bromo-4-(difluoromethyl)pyridine.

What is the molecular formula of the compound?

The molecular formula of the compound is C6H4BrF2N.

What is the molecular weight of the compound?

The molecular weight of the compound is 208.00 g/mol.

What is the CAS number of the compound?

The CAS number of the compound is 114468-05-2.

How many hydrogen bond donor counts are there in the compound?

There are 0 hydrogen bond donor counts in the compound.

How many hydrogen bond acceptor counts are there in the compound?

There are 3 hydrogen bond acceptor counts in the compound.

How many rotatable bond counts are there in the compound?

There is 1 rotatable bond count in the compound.

What is the exact mass of the compound?

The exact mass of the compound is 206.94952 g/mol.

What is the topological polar surface area of the compound?

The topological polar surface area of the compound is 12.9Ų.

Is the compound canonicalized?

Yes, the compound is canonicalized.