4-(2-Bromophenyl)-2-methyl-1-butene

• CAS: 130955-17-8
• Catalog Number: ACM130955178
• Category: Other Products; Alkenyl
• Molecular Weight: 225.12
• Molecular Formula: C₁₁H₁₃Br
• Synonyms: 4-(2-Bromophenyl)-2-methyl-1-butene, 130955-17-8, ACMC-20amxv, AGN-PC-002JHX, 633585_ALDRICH, CTK4B7002, AKOS016016644, AG-D-62816, OR01859, 4-(2-Bromophenyl)-2-methylbut-1-ene, 1-Bromo-2-(3-methyl-3-butenyl)benzene, 1-bromo-2-(3-methylbut-3-enyl)benzene, 2-(3-Methylbut-3-en-1-yl)bromobenzene, KB-186260, 1-bromo-2-(3-methylbut-3-en-1-yl)benzene
• IUPAC Name: 1-bromo-2-(3-methylbut-3-enyl)benzene
• Canonical SMILES: CC(=C)CCC1=CC=CC=C1Br
• InChI Key: AYBPGVKOKLIVNY-UHFFFAOYSA-N
• Boiling Point: 253.7ºC at 760 mmHg
• Flash Point: 222 °F
• Density: 1.215 g/mL at 25ºC(lit.)
• Exact Mass: 224.02000
• Hazard Statements: H319
• H-Bond Acceptor: 0
• H-Bond Donor: 0
• RIDADR: NONH for all modes of transport
• Safety Description: S60
• Symbol: GHS07

Custom Q&A

What is the molecular formula of the compound?

The molecular formula is C11H13Br.

What is the molecular weight of the compound?

The molecular weight is 225.12 g/mol.

What is the IUPAC name of the compound?

The IUPAC name is 1-bromo-2-(3-methylbut-3-enyl)benzene.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C11H13Br/c1-9(2)7-8-10-5-3-4-6-11(10)12/h3-6H,1,7-8H2,2H3.

What is the InChIKey of the compound?

The InChIKey of the compound is AYBPGVKOKLIVNY-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES is CC(=C)CCC1=CC=CC=C1Br.

What is the CAS number of the compound?

The CAS number is 130955-17-8.

What is the Hydrogen Bond Donor Count of the compound?

The Hydrogen Bond Donor Count is 0.

What is the Rotatable Bond Count of the compound?

The Rotatable Bond Count is 3.

Is the compound canonicalized?

Yes, the compound is canonicalized.