2-Benzyl-4-bromoisoindoline

• CAS: 923590-78-7
• Catalog Number: ACM923590787
• Category: Bromine Series
• Molecular Weight: 288.18
• Molecular Formula: C₁₅H₁₄BrN
• Synonyms: 2-BENZYL-4-BROMOISOINDOLINE, 923590-78-7, AG-H-78717, PubChem23131, SureCN629986, 2-benzyl-4-bromo-isoindoline;, CTK3F8868, MolPort-009-200-167, ANW-73542, AKOS015839186, AK-50239, KB-20935, 1H-Isoindole, 4-bromo-2,3-dihydro-2-(phenylmethyl)-
• IUPAC Name: 2-benzyl-4-bromo-1,3-dihydroisoindole
• Canonical SMILES: C1C2=C(CN1CC3=CC=CC=C3)C(=CC=C2)Br
• InChI Key: PXCBVDGJELFHKH-UHFFFAOYSA-N
• Boiling Point: 354ºC at 760 mmHg
• Flash Point: 167.9ºC
• Density: 1.412 g/cm³
• Exact Mass: 287.03100
• H-Bond Acceptor: 1
• H-Bond Donor: 0

Custom Q&A

What is the molecular formula of 2-Benzyl-4-bromoisoindoline?

The molecular formula is C15H14BrN.

What is the molecular weight of 2-Benzyl-4-bromoisoindoline?

The molecular weight is 288.18 g/mol.

What is the IUPAC name of 2-Benzyl-4-bromoisoindoline?

The IUPAC name is 2-benzyl-4-bromo-1,3-dihydroisoindole.

What is the InChI of 2-Benzyl-4-bromoisoindoline?

The InChI is InChI=1S/C15H14BrN/c16-15-8-4-7-13-10-17(11-14(13)15)9-12-5-2-1-3-6-12/h1-8H,9-11H2.

What is the InChIKey of 2-Benzyl-4-bromoisoindoline?

The InChIKey is PXCBVDGJELFHKH-UHFFFAOYSA-N.

What is the canonical SMILES of 2-Benzyl-4-bromoisoindoline?

The canonical SMILES is C1C2=C(CN1CC3=CC=CC=C3)C(=CC=C2)Br.

What is the CAS number of 2-Benzyl-4-bromoisoindoline?

The CAS number is 923590-78-7.

What is the XLogP3-AA value of 2-Benzyl-4-bromoisoindoline?

The XLogP3-AA value is 3.5.

How many hydrogen bond donor counts does 2-Benzyl-4-bromoisoindoline have?

It has 0 hydrogen bond donor counts.

How many rotatable bond counts does 2-Benzyl-4-bromoisoindoline have?

It has 2 rotatable bond counts.