1-Benzyloxy-2-iodoethane

• CAS: 54555-84-9
• Catalog Number: ACM54555849
• Category: Other Products; Alkyl
• Molecular Weight: 262.09
• Molecular Formula: C9H11IO
• Synonyms: 1-BENZYLOXY-2-IODOETHANE, 54555-84-9, AmbkkkkK513, Benzyl 2-iodoethyl ether, SureCN948085, ACMC-1AV56, CTK5A1638, AG-F-89713, KB-218175
• IUPAC Name: 2-iodoethoxymethylbenzene
• Canonical SMILES: C1=CC=C(C=C1)COCCI
• InChI Key: NYACRWGQRUIHSO-UHFFFAOYSA-N
• Exact Mass: 261.98500
• Hazard Statements: H302-H319
• H-Bond Acceptor: 1
• H-Bond Donor: 0
• Symbol: GHS07

Custom Q&A

What is the IUPAC name of the compound?

The IUPAC name of the compound is 2-iodoethoxymethylbenzene.

What is the molecular formula of the compound?

The molecular formula of the compound is C9H11IO.

What is the CAS number of the compound?

The CAS number of the compound is 54555-84-9.

What is the molecular weight of the compound?

The molecular weight of the compound is 262.09 g/mol.

What is the InChIKey of the compound?

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

How many hydrogen bond donor counts does the compound have?

The compound does not have any hydrogen bond donor count.

How many hydrogen bond acceptor counts does the compound have?

The compound has 1 hydrogen bond acceptor count.

How many rotatable bond counts does the compound have?

The compound has 4 rotatable bond counts.

What is the topological polar surface area of the compound?

The topological polar surface area of the compound is 9.2Ų.

Is the compound canonically defined?

Yes, the compound is canonically defined.