2-Chloro-4-(3-piperidinyloxy)benzonitrile

CAS
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CAS
902836-92-4
Size
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Purity
96%
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Catalog Number

ACM902836924

Product Name

2-Chloro-4-(3-piperidinyloxy)benzonitrile

Structure

Structure

CAS

902836-92-4

Category

Heterocyclic Organic Compound

Synonyms

2-CHLORO-4-(3-PIPERIDINYLOXY)BENZONITRILE, ST50407783, 902836-92-4, AC1Q3IGU, ACMC-20ao02, CTK7C8188, AKOS009460924, AG-A-39700, MCULE-7966113268, KB-229528, 2-chloro-4-(3-piperidyloxy)benzenecarbonitrile, 2-Chloro-4-(Piperidin-3-Yl-Oxy)-Benzonitrile

IUPAC Name

2-chloro-4-piperidin-3-yloxybenzonitrile

Molecular Weight

236.70

Molecular Formula

C₁₂H₁₃ClN₂O

InChI Key

GPGZXKBRTANYCD-UHFFFAOYSA-N

Exact Mass

236.07200

H-Bond Acceptor

3

H-Bond Donor

1

MSDS

COA

Spec Sheet

Download Spec Sheet

What is the molecular formula of 2-Chloro-4-(3-piperidinyloxy)benzonitrile?

The molecular formula is C12H13ClN2O.

What is the molecular weight of 2-Chloro-4-(3-piperidinyloxy)benzonitrile?

The molecular weight is 236.70 g/mol.

When was 2-Chloro-4-(3-piperidinyloxy)benzonitrile created in PubChem?

It was created on February 29, 2008.

What is the IUPAC name of 2-Chloro-4-(3-piperidinyloxy)benzonitrile?

The IUPAC name is 2-chloro-4-piperidin-3-yloxybenzonitrile.

What is the InChI of 2-Chloro-4-(3-piperidinyloxy)benzonitrile?

The InChI is InChI=1S/C12H13ClN2O/c13-12-6-10(4-3-9(12)7-14)16-11-2-1-5-15-8-11/h3-4,6,11,15H,1-2,5,8H2.

What is the Canonical SMILES of 2-Chloro-4-(3-piperidinyloxy)benzonitrile?

The Canonical SMILES is C1CC(CNC1)OC2=CC(=C(C=C2)C#N)Cl.

How many hydrogen bond donor counts does 2-Chloro-4-(3-piperidinyloxy)benzonitrile have?

It has 1 hydrogen bond donor count.

What is the XLogP3-AA value of 2-Chloro-4-(3-piperidinyloxy)benzonitrile?

The XLogP3-AA value is 2.4.

What is the topological polar surface area of 2-Chloro-4-(3-piperidinyloxy)benzonitrile?

The topological polar surface area is 45 2.

Is 2-Chloro-4-(3-piperidinyloxy)benzonitrile a canonicalized compound in PubChem?

Yes, it is a canonicalized compound in PubChem.

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