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Structure

3,5-Dibromo-2-aminobenzonitrile

CAS
68385-95-5
Catalog Number
ACM68385955
Category
Bromine Series

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What is the molecular formula of 3,5-Dibromo-2-aminobenzonitrile?

The molecular formula of 3,5-Dibromo-2-aminobenzonitrile is C7H4Br2N2.

What is the molecular weight of 3,5-Dibromo-2-aminobenzonitrile?

The molecular weight of 3,5-Dibromo-2-aminobenzonitrile is 275.93 g/mol.

What is the IUPAC name of 3,5-Dibromo-2-aminobenzonitrile?

The IUPAC name of 3,5-Dibromo-2-aminobenzonitrile is 2-amino-3,5-dibromobenzonitrile.

What is the InChIKey of 3,5-Dibromo-2-aminobenzonitrile?

The InChIKey of 3,5-Dibromo-2-aminobenzonitrile is WLZCMGXAEXFAQA-UHFFFAOYSA-N.

What is the Canonical SMILES representation of 3,5-Dibromo-2-aminobenzonitrile?

The Canonical SMILES representation of 3,5-Dibromo-2-aminobenzonitrile is C1=C(C=C(C(=C1C#N)N)Br)Br.

What is the XLogP3-AA value of 3,5-Dibromo-2-aminobenzonitrile?

The XLogP3-AA value of 3,5-Dibromo-2-aminobenzonitrile is 2.9.

How many hydrogen bond donor counts are present in 3,5-Dibromo-2-aminobenzonitrile?

There is 1 hydrogen bond donor count present in 3,5-Dibromo-2-aminobenzonitrile.

What is the topological polar surface area of 3,5-Dibromo-2-aminobenzonitrile?

The topological polar surface area of 3,5-Dibromo-2-aminobenzonitrile is 49.8Ų.

How many heavy atoms are there in the structure of 3,5-Dibromo-2-aminobenzonitrile?

There are 11 heavy atoms in the structure of 3,5-Dibromo-2-aminobenzonitrile.

Is 3,5-Dibromo-2-aminobenzonitrile considered canonicalized according to PubChem?

Yes, 3,5-Dibromo-2-aminobenzonitrile is considered canonicalized according to PubChem.

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