2-(2-Bromoethoxy)tetrahydro-2H-pyran

• Catalog Number: ACM59146564
• Product Name: 2-(2-Bromoethoxy)tetrahydro-2H-pyran
• CAS: 59146-56-4
• Category: Bromine Series
• Synonyms: 2-(2-BROMO-ETHOXY)-TETRAHYDRO-PYRAN;2-(2-BROMOETHOXY)TETRAHYDRO-2H-PYRAN;2-BROMO-O-TETRAHYDROPYRANYL-ETHANOL;2-(2-BROMOETHOXY)TETRAHYDRO-2H-PYRAN, 96 %
• IUPAC Name: 2-(2-bromoethoxy)oxane
• Molecular Weight: 209.08
• Molecular Formula: C₇H₁₃BrO₂
• Canonical SMILES: C1CCOC(C1)OCCBr
• InChI Key: GCUOLJOTJRUDIZ-UHFFFAOYSA-N
• Boiling Point: 62-64ºC
• Flash Point: 88ºC
• Density: 1.384
• Exact Mass: 208.01000
• H-Bond Acceptor: 2
• H-Bond Donor: 0

Custom Q&A

What is the molecular formula of the compound?

The molecular formula of the compound is C7H13BrO2.

What is the molecular weight of the compound?

The molecular weight of the compound is 209.08 g/mol.

What is the IUPAC name of the compound?

The IUPAC name of the compound is 2-(2-bromoethoxy)oxane.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C7H13BrO2/c8-4-6-10-7-3-1-2-5-9-7/h7H,1-6H2.

What is the InChIKey of the compound?

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

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is C1CCOC(C1)OCCBr.

What is the CAS number of the compound?

The CAS number of the compound is 17739-45-6.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value of the compound is 1.7.

How many hydrogen bond donor counts does the compound have?

The compound has 0 hydrogen bond donor counts.

How many rotatable bond counts does the compound have?

The compound has 3 rotatable bond counts.