4-Bromo-3-(chloromethyl)-1-methyl-1H-pyrazole

• CAS: 915707-66-3
• Catalog Number: ACM915707663
• Category: Bromine Series
• Molecular Weight: 209.47
• Molecular Formula: C₅H₆BrClN₂
• Synonyms: 4-bromo-3-(chloromethyl)-1-methyl-1h-pyrazole
• IUPAC Name: 4-bromo-3-(chloromethyl)-1-methylpyrazole
• Canonical SMILES: CN1C=C(C(=N1)CCl)Br
• InChI Key: WHHNKVUVLZLAAM-UHFFFAOYSA-N
• Boiling Point: 279.9ºC at 760 mmHg
• Melting Point: 76.5ºC
• Flash Point: 123.1ºC
• Density: 1.73g/cm³
• Exact Mass: 207.94000
• H-Bond Acceptor: 1
• H-Bond Donor: 0

Custom Q&A

What is the molecular formula of the compound?

The molecular formula is C5H6BrClN2.

What is the molecular weight of the compound?

The molecular weight is 209.47 g/mol.

What is the IUPAC name of the compound?

The IUPAC name is 4-bromo-3-(chloromethyl)-1-methylpyrazole.

What is the InChI Key of the compound?

The InChI Key is WHHNKVUVLZLAAM-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES is CN1C=C(C(=N1)CCl)Br.

What is the CAS number of the compound?

The CAS number is 915707-66-3.

What is the European Community (EC) number of the compound?

The EC number is 851-490-5.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value is 1.3.

What is the hydrogen bond donor count of the compound?

The hydrogen bond donor count is 0.

Is the compound canonicalized?

Yes, the compound is canonicalized.