1-Bromo-3-ethyladamantane

• CAS: 878-61-5
• Catalog Number: ACM878615
• Category: Bromine Series
• Molecular Weight: 243.18
• Molecular Formula: C₁₂H₁₉Br
• Synonyms: 1-BROMO-3-ETHYLADAMANTANE
• IUPAC Name: 1-bromo-3-ethyladamantane
• Canonical SMILES: CCC12CC3CC(C1)CC(C3)(C2)Br
• InChI Key: QUUCNKWMKRZRGC-UHFFFAOYSA-N
• Boiling Point: 124ºC
• Melting Point: 23ºC
• Flash Point: 115.6ºC
• Density: 1.344g/cm³
• Exact Mass: 242.06700
• Hazard Statements: Xi: Irritant
• H-Bond Acceptor: 0
• H-Bond Donor: 0

Custom Q&A

What is the molecular formula of 1-Bromo-3-ethyladamantane?

The molecular formula of 1-Bromo-3-ethyladamantane is C12H19Br.

What is the molecular weight of 1-Bromo-3-ethyladamantane?

The molecular weight of 1-Bromo-3-ethyladamantane is 243.18 g/mol.

What is the IUPAC name of 1-Bromo-3-ethyladamantane?

The IUPAC name of 1-Bromo-3-ethyladamantane is 1-bromo-3-ethyladamantane.

What is the InChI of 1-Bromo-3-ethyladamantane?

The InChI of 1-Bromo-3-ethyladamantane is InChI=1S/C12H19Br/c1-2-11-4-9-3-10(5-11)7-12(13,6-9)8-11/h9-10H,2-8H2,1H3.

What is the InChIKey of 1-Bromo-3-ethyladamantane?

The InChIKey of 1-Bromo-3-ethyladamantane is QUUCNKWMKRZRGC-UHFFFAOYSA-N.

What is the canonical SMILES of 1-Bromo-3-ethyladamantane?

The canonical SMILES of 1-Bromo-3-ethyladamantane is CCC12CC3CC(C1)CC(C3)(C2)Br.

What is the CAS number of 1-Bromo-3-ethyladamantane?

The CAS number of 1-Bromo-3-ethyladamantane is 878-61-5.

What is the XLogP3 value of 1-Bromo-3-ethyladamantane?

The XLogP3 value of 1-Bromo-3-ethyladamantane is 5.1.

How many rotatable bonds does 1-Bromo-3-ethyladamantane have?

1-Bromo-3-ethyladamantane has 1 rotatable bond.

Is 1-Bromo-3-ethyladamantane a canonicalized compound?

Yes, 1-Bromo-3-ethyladamantane is a canonicalized compound.