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Structure

N-(4-Bromo-5-methyl-6-nitrophenyl)acetamide

CAS
914223-24-8
Catalog Number
ACM914223248
Category
Other Products
Molecular Weight
273.08
Molecular Formula
C9H9BrN2O3

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Specification

Synonyms
N-(4-bromo-5-methyl-6-nitrophenyl)acetamide
What is the molecular formula of the compound?

The molecular formula is C9H9BrN2O3.

What are the synonyms of the compound?

The synonyms are N-(4-BROMO-5-METHYL-6-NITROPHENYL)ACETAMIDE and N-(4-bromo-3-methyl-2-nitrophenyl)acetamide.

What is the molecular weight of the compound?

The molecular weight is 273.08 g/mol.

What is the IUPAC name of the compound?

The IUPAC name is N-(4-bromo-3-methyl-2-nitrophenyl)acetamide.

What is the InChI code of the compound?

The InChI code is InChI=1S/C9H9BrN2O3/c1-5-7(10)3-4-8(11-6(2)13)9(5)12(14)15/h3-4H,1-2H3,(H,11,13).

What is the InChIKey of the compound?

The InChIKey is IXAMFCDBXQSERN-UHFFFAOYSA-N.

What is the Canonical SMILES of the compound?

The Canonical SMILES is CC1=C(C=CC(=C1[N+](=O)[O-])NC(=O)C)Br.

What is the XLogP3 value of the compound?

The XLogP3 value is 2.5.

How many hydrogen bond donor and acceptor counts does the compound have?

The compound has 1 hydrogen bond donor count and 3 hydrogen bond acceptor counts.

What is the topological polar surface area of the compound?

The topological polar surface area is 74.9 ?2.

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