Structure

4-Bromobenzyl methyl ether

CAS
1515-88-4
Catalog Number
ACM1515884
Category
Ethers
Molecular Weight
201.06
Molecular Formula
C8H8N2O2

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Specification

Hazard Statements
H319
Symbol
GHS07
What is the IUPAC name of the compound?

The IUPAC name of the compound is 1-bromo-4-(methoxymethyl)benzene.

What is the molecular formula of the compound?

The molecular formula of the compound is C8H9BrO.

What is the molecular weight of the compound?

The molecular weight of the compound is 201.06 g/mol.

What is the CAS number of the compound?

The CAS number of the compound is 1515-88-4.

What is the InChI key of the compound?

The InChI key of the compound is JIMMXGXOJQXOQA-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is COCC1=CC=C(C=C1)Br.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value of the compound is 2.3.

How many hydrogen bond donor counts does the compound have?

The compound has 0 hydrogen bond donor count.

How many rotatable bond counts does the compound have?

The compound has 2 rotatable bond counts.

Is the compound canonicalized?

Yes, the compound is canonicalized according to PubChem.

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