1-(3,5-Dichlorophenyl)-pyrrolidine

CAS
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CAS
99660-44-3
Size
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Purity
96%
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Catalog Number

ACM99660443

Product Name

1-(3,5-Dichlorophenyl)-pyrrolidine

CAS

99660-44-3

Category

Heterocyclic Organic Compound

Synonyms

SCHEMBL9829419, 1-(3,5-dichlorophenyl)Pyrrolidine, AKOS022844883, DB-080622, 99660-44-3

IUPAC Name

1-(3,5-dichlorophenyl)pyrrolidine

Molecular Weight

216.107040 [g/mol]

Molecular Formula

C₁₀H₁₁Cl₂N

Canonical SMILES

C1CCN(C1)C2=CC(=CC(=C2)Cl)Cl

InChI Key

PVWBSMHATJNYSI-UHFFFAOYSA-N

Boiling Point

333.8±32.0 °C (760 mmHg)

Melting Point

73.1-73.3 °C

Density

1.287±0.06 g/cm³ (20 °C, 760 mmHg)

Exact Mass

215.02700

H-Bond Acceptor

1

H-Bond Donor

0

MSDS

COA

Spec Sheet

Download Spec Sheet

What is the molecular formula of 1-(3,5-Dichlorophenyl)-pyrrolidine?

The molecular formula is C10H11Cl2N.

What is the molecular weight of 1-(3,5-Dichlorophenyl)-pyrrolidine?

The molecular weight is 216.10 g/mol.

What is the IUPAC name of 1-(3,5-Dichlorophenyl)-pyrrolidine?

The IUPAC name is 1-(3,5-dichlorophenyl)pyrrolidine.

What is the InChI of 1-(3,5-Dichlorophenyl)-pyrrolidine?

The InChI is InChI=1S/C10H11Cl2N/c11-8-5-9(12)7-10(6-8)13-3-1-2-4-13/h5-7H,1-4H2.

What is the InChIKey of 1-(3,5-Dichlorophenyl)-pyrrolidine?

The InChIKey is PVWBSMHATJNYSI-UHFFFAOYSA-N.

What is the canonical SMILES of 1-(3,5-Dichlorophenyl)-pyrrolidine?

The canonical SMILES is C1CCN(C1)C2=CC(=CC(=C2)Cl)Cl.

What is the XLogP3-AA value of 1-(3,5-Dichlorophenyl)-pyrrolidine?

The XLogP3-AA value is 3.8.

How many hydrogen bond donor counts are there in 1-(3,5-Dichlorophenyl)-pyrrolidine?

There are 0 hydrogen bond donor counts.

How many hydrogen bond acceptor counts are there in 1-(3,5-Dichlorophenyl)-pyrrolidine?

There is 1 hydrogen bond acceptor count.

What is the topological polar surface area of 1-(3,5-Dichlorophenyl)-pyrrolidine?

The topological polar surface area is 3.2 ?2.

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