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Structure

4-[[2-(Chloromethyl)phenyl]methyl]morpholine

CAS
937664-34-1
Catalog Number
ACM937664341
Category
Other Products
Molecular Weight
225.71
Molecular Formula
C12H16ClNO

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Specification

Density
1.160
What is the molecular formula of the compound?

The molecular formula of the compound is C12H16ClNO.

When was the compound created and last modified?

The compound was created on 2007-07-30 and last modified on 2023-12-30.

What is the IUPAC name of the compound?

The IUPAC name of the compound is 4-[[2-(chloromethyl)phenyl]methyl]morpholine.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C12H16ClNO/c13-9-11-3-1-2-4-12(11)10-14-5-7-15-8-6-14/h1-4H,5-10H2.

What is the InChIKey of the compound?

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

What is the Canonical SMILES of the compound?

The Canonical SMILES of the compound is C1COCCN1CC2=CC=CC=C2CCl.

What is the molecular weight of the compound?

The molecular weight of the compound is 225.71 g/mol.

How many hydrogen bond acceptor counts does the compound have?

The compound has 2 hydrogen bond acceptor counts.

What is the topological polar surface area of the compound?

The topological polar surface area of the compound is 12.5 Ų.

Is the compound canonicalized?

Yes, the compound is canonicalized.

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