3-Bromobenzoylacetonitrile

• CAS: 70591-86-5
• Catalog Number: ACM70591865
• Category: Bromine Series
• Molecular Weight: 224.0565
• Molecular Formula: C9H6BrNO
• Synonyms: 3-Bromobenzoylacetonitrile, 3-(3-bromophenyl)-3-oxopropanenitrile, 70591-86-5, 3-(3-bromo-phenyl)-3-oxo-propionitrile, SBB019256, 3-bromo-beta-oxo-benzenepropanenitrile, AG-G-75622, 3-(3-Bromo-phenyl)-3-oxo-propionitr, ZINC02579775, AC1MBUHG, PubChem12043, AC1Q24IP, SureCN1786567, KSC498A5H, CTK3J8053, MolPort-000-151-741, 3-BROMOBENZOYLACETONITRILE, AC1Q2531, ANW-44363, BBL023618
• IUPAC Name: 3-(3-bromophenyl)-3-oxopropanenitrile
• Canonical SMILES: C1=CC(=CC(=C1)Br)C(=O)CC#N
• InChI Key: VBFNSHGLANEMRM-UHFFFAOYSA-N
• H-Bond Acceptor: 2
• H-Bond Donor: 0
• MDL Number: MFCD02260778
• Size: 1g,5g,25g

Custom Q&A

What is the molecular formula of 3-Bromobenzoylacetonitrile?

The molecular formula of 3-Bromobenzoylacetonitrile is C9H6BrNO.

What is the molecular weight of 3-Bromobenzoylacetonitrile?

The molecular weight of 3-Bromobenzoylacetonitrile is 224.05 g/mol.

What is the IUPAC name of 3-Bromobenzoylacetonitrile?

The IUPAC name of 3-Bromobenzoylacetonitrile is 3-(3-bromophenyl)-3-oxopropanenitrile.

What is the CAS number of 3-Bromobenzoylacetonitrile?

The CAS number of 3-Bromobenzoylacetonitrile is 70591-86-5.

What is the XLogP3 value of 3-Bromobenzoylacetonitrile?

The XLogP3 value of 3-Bromobenzoylacetonitrile is 1.7.

How many hydrogen bond donor counts are there in 3-Bromobenzoylacetonitrile?

There are 0 hydrogen bond donor counts in 3-Bromobenzoylacetonitrile.

How many hydrogen bond acceptor counts are there in 3-Bromobenzoylacetonitrile?

There are 2 hydrogen bond acceptor counts in 3-Bromobenzoylacetonitrile.

How many rotatable bond counts are there in 3-Bromobenzoylacetonitrile?

There are 2 rotatable bond counts in 3-Bromobenzoylacetonitrile.

What is the topological polar surface area of 3-Bromobenzoylacetonitrile?

The topological polar surface area of 3-Bromobenzoylacetonitrile is 40.9Ų.

Is 3-Bromobenzoylacetonitrile a canonicalized compound?

Yes, 3-Bromobenzoylacetonitrile is a canonicalized compound.