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Structure

1-(2-Amino-3-bromo-4-methoxyphenyl)ethanone

CAS
923289-30-9
Catalog Number
ACM923289309
Category
Other Products
Molecular Weight
244.09
Molecular Formula
C9H10BrNO2

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What is the molecular formula of the chemical compound referenced?

The molecular formula is C9H10BrNO2.

When was the chemical compound created and last modified?

It was created on 2009-06-08 and last modified on 2023-12-30.

What is the IUPAC name of the chemical compound?

The IUPAC name is 1-(2-amino-3-bromo-4-methoxyphenyl)ethanone.

What is the Canonical SMILES of the chemical compound?

The Canonical SMILES is CC(=O)C1=C(C(=C(C=C1)OC)Br)N.

What is the molecular weight of the chemical compound?

The molecular weight is 244.08 g/mol.

How many hydrogen bond donor counts does the compound have?

It has 1 hydrogen bond donor count.

What is the hydrogen bond acceptor count of the compound?

The hydrogen bond acceptor count is 3.

What is the exact mass of the compound?

The exact mass is 242.98949 g/mol.

What is the topological polar surface area of the compound?

The topological polar surface area is 52.3 Ų.

Is the covalently-bonded unit count of the compound canonicalized?

Yes, the compound is canonicalized with a covalently-bonded unit count of 1.

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