Syn-7-bromobicyclo[2.2.1]hept-2-ene

• Catalog Number: ACM20047658
• Product Name: Syn-7-bromobicyclo[2.2.1]hept-2-ene
• CAS: 20047-65-8
• Category: Heterocyclic Organic Compound
• Synonyms: SBB054710, (1R,4S)-7-Bromobicyclo[2.2.1]hept-2-ene, 20047-65-8, (4S,1R)-7-bromobicyclo[2.2.1]hept-2-ene, CTK5I5966, ZINC54959960, AG-B-73659, ST50949838
• IUPAC Name: (1S,4R)-7-bromobicyclo[2.2.1]hept-2-ene
• Molecular Weight: 173.05
• Molecular Formula: C₇H₉Br
• Canonical SMILES: C1CC2C=CC1C2Br
• InChI Key: XFPAUZYYSFLZRD-MEKDEQNOSA-N
• Boiling Point: 68-70ºC (13 mmHg)
• Flash Point: 63.2ºC
• Density: 1.46 g/mL at 20ºC(lit.)
• Exact Mass: 171.98900
• Hazard Statements: Xi
• H-Bond Acceptor: 0
• H-Bond Donor: 0
• RIDADR: UN 2811 6.1 / PGIII
• Symbol: GHS07

Custom Q&A

What is the molecular formula of 7-bromobicyclo[2.2.1]hept-2-ene?

The molecular formula is C7H9Br.

What is the molecular weight of 7-bromobicyclo[2.2.1]hept-2-ene?

The molecular weight is 173.05 g/mol.

What is the IUPAC name of 7-bromobicyclo[2.2.1]hept-2-ene?

The IUPAC name is 7-bromobicyclo[2.2.1]hept-2-ene.

What is the InChI of 7-bromobicyclo[2.2.1]hept-2-ene?

The InChI is InChI=1S/C7H9Br/c8-7-5-1-2-6(7)4-3-5/h1-2,5-7H,3-4H2.

What is the InChIKey of 7-bromobicyclo[2.2.1]hept-2-ene?

The InChIKey is XFPAUZYYSFLZRD-UHFFFAOYSA-N.

What is the canonical SMILES of 7-bromobicyclo[2.2.1]hept-2-ene?

The canonical SMILES is C1CC2C=CC1C2Br.

What is the CAS number of 7-bromobicyclo[2.2.1]hept-2-ene?

The CAS number is 22365-94-2.

What is the European Community (EC) number of 7-bromobicyclo[2.2.1]hept-2-ene?

The European Community (EC) number is 626-463-4.

What is the XLogP3-AA value of 7-bromobicyclo[2.2.1]hept-2-ene?

The XLogP3-AA value is 2.3.

Is the compound canonicalized?

Yes, the compound is canonicalized.