4-Bromobenzocyclobutene

• CAS: 1073-39-8
• Catalog Number: ACM1073398
• Category: Alkenes
• Molecular Weight: 183.05
• Molecular Formula: C8H7Br
• Synonyms: 3-bromobicyclo[4.2.0]octa-1,3,5-triene, 1073-39-8, 3-Bromo-bicyclo[4.2.0]octa-1,3,5-triene, SureCN13594, 4-BROMO-BENZOCYCLOBUTANE, MolPort-005-932-665, AC-157, ANW-50156, AKOS006290829, AK-54784, BR-54784, L661, AM20020174, Bicyclo[4.2.0]octa-1,3,5-triene, 3-bromo-
• IUPAC Name: 4-bromobicyclo[4.2.0]octa-1(6),2,4-triene
• Canonical SMILES: C1CC2=C1C=CC(=C2)Br
• InChI Key: GMHHTGYHERDNLO-UHFFFAOYSA-N
• Boiling Point: 221.4ºC at 760 mmHg
• Flash Point: 92.1ºC
• Density: 1.564 g/cm³
• Exact Mass: 181.97300
• Hazard Statements: H225-H315-H319-H335
• H-Bond Acceptor: 0
• H-Bond Donor: 0
• RIDADR: UN 1993C 3 / PGIII
• Safety Description: S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .; S36:Wear suitable protective clothing .
• Symbol: GHS02
• WGK Germany: 3

Custom Q&A

What is the molecular formula of 4-Bromobenzocyclobutene?

The molecular formula of 4-Bromobenzocyclobutene is C8H7Br.

When was 4-Bromobenzocyclobutene first created in the database?

4-Bromobenzocyclobutene was first created in the database on October 26, 2006.

What is the molecular weight of 4-Bromobenzocyclobutene?

The molecular weight of 4-Bromobenzocyclobutene is 183.04 g/mol.

What is the IUPAC name of 4-Bromobenzocyclobutene?

The IUPAC name of 4-Bromobenzocyclobutene is 3-bromobicyclo[4.2.0]octa-1(6),2,4-triene.

What is the Canonical SMILES of 4-Bromobenzocyclobutene?

The Canonical SMILES of 4-Bromobenzocyclobutene is C1CC2=C1C=CC(=C2)Br.

How many hydrogen bond donor counts does 4-Bromobenzocyclobutene have?

4-Bromobenzocyclobutene has 0 hydrogen bond donor counts.

What is the topological polar surface area of 4-Bromobenzocyclobutene?

The topological polar surface area of 4-Bromobenzocyclobutene is 0Ų.

How many defined atom stereocenter counts does 4-Bromobenzocyclobutene have?

4-Bromobenzocyclobutene has 0 defined atom stereocenter counts.

Is 4-Bromobenzocyclobutene a canonicalized compound?

Yes, 4-Bromobenzocyclobutene is a canonicalized compound.

What is the InChIKey of 4-Bromobenzocyclobutene?

The InChIKey of 4-Bromobenzocyclobutene is GMHHTGYHERDNLO-UHFFFAOYSA-N.