Structure

5-Cyanoindole

CAS
15861-24-2
Catalog Number
ACM15861242
Category
Indoles
Molecular Weight
142.16
Molecular Formula
C9H6N2

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Specification

Synonyms
5-Cyanoindol;5-cyano indole;5-Cyano-1H-indole;1H-Indole-5-carbonitrile
Boiling Point
350 °C at 760 mmHg
Melting Point
106-108 °C (lit.)
Flash Point
121.9 °C
Density
1.24 g/cm³
Appearance
Off-White Crystalline Powder
What is the molecular formula of 5-Cyanoindole?

The molecular formula of 5-Cyanoindole is C9H6N2.

What is the IUPAC name of 5-Cyanoindole?

The IUPAC name of 5-Cyanoindole is 1H-indole-5-carbonitrile.

What is the molecular weight of 5-Cyanoindole?

The molecular weight of 5-Cyanoindole is 142.16 g/mol.

What is the InChIKey of 5-Cyanoindole?

The InChIKey of 5-Cyanoindole is YHYLDEVWYOFIJK-UHFFFAOYSA-N.

What is the Canonical SMILES representation of 5-Cyanoindole?

The Canonical SMILES representation of 5-Cyanoindole is C1=CC2=C(C=CN2)C=C1C#N.

What is the CAS number of 5-Cyanoindole?

The CAS number of 5-Cyanoindole is 15861-24-2.

How many hydrogen bond donor counts does 5-Cyanoindole have?

5-Cyanoindole has 1 hydrogen bond donor count.

Does 5-Cyanoindole have any rotatable bond counts?

5-Cyanoindole has 0 rotatable bond counts.

What is the topological polar surface area of 5-Cyanoindole?

The topological polar surface area of 5-Cyanoindole is 39.6 Å^2.

Is the compound 5-Cyanoindole canonicalized?

Yes, the compound 5-Cyanoindole is canonicalized according to PubChem.

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