4-(4-Bromophenyl)pyrazole

• CAS: 849021-16-5
• Catalog Number: ACM849021165
• Category: Bromine Series
• Molecular Weight: 223.069280 [g/mol]
• Molecular Formula: C9H7BrN2
• Synonyms: 4-(4-bromophenyl)-1H-pyrazole, 4-(4-Bromophenyl)pyrazole, 849021-16-5, 4-(1h-pyrazol-4-yl)bromobenzene, SBB054157, ZINC01529094, PubChem23524, SureCN481994, CTK5F3397, MolPort-001-760-725, 1H-Pyrazole,4-(4-bromophenyl)-, AKOS015835687, AB29972, AG-H-39925, AK115844, KB-87447, FT-0677421, 1-BROMO-4-(1H-PYRAZOL-4-YL)BENZENE, A840981, I14-26120
• IUPAC Name: 4-(4-bromophenyl)-1H-pyrazole
• Canonical SMILES: C1=CC(=CC=C1C2=CNN=C2)Br
• InChI Key: GCAZXAMCMBEXCC-UHFFFAOYSA-N
• Boiling Point: 390.6ºC at 760 mmHg
• Melting Point: 208-211ºC
• Flash Point: 190ºC
• Density: 1.565g/cm³
• Exact Mass: 221.97900
• H-Bond Acceptor: 1
• H-Bond Donor: 1

Custom Q&A

What is the IUPAC name of the compound with PubChem CID 6991945?

The IUPAC name is 4-(4-bromophenyl)-1H-pyrazole.

What is the molecular formula of the compound with PubChem CID 6991945?

The molecular formula is C9H7BrN2.

What is the molecular weight of the compound with PubChem CID 6991945?

The molecular weight is 223.07 g/mol.

What is the Canonical SMILES of the compound with PubChem CID 6991945?

The Canonical SMILES is C1=CC(=CC=C1C2=CNN=C2)Br.

How many hydrogen bond donor counts does the compound with PubChem CID 6991945 have?

The compound has 1 hydrogen bond donor count.

What is the exact mass of the compound with PubChem CID 6991945?

The exact mass is 221.97926 g/mol.

What is the topological polar surface area of the compound with PubChem CID 6991945?

The topological polar surface area is 28.7Ų.

How many heavy atoms does the compound with PubChem CID 6991945 have?

The compound has 12 heavy atoms.

Is the compound with PubChem CID 6991945 canonicalized?

Yes, the compound is canonicalized.

What is the defined atom stereocenter count of the compound with PubChem CID 6991945?

The defined atom stereocenter count is 0.