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1-(3,5-Dichlorophenyl)-pyrrolidine

CAS
99660-44-3
Catalog Number
ACM99660443
Category
Other Products
Molecular Weight
216.107040 [g/mol]
Molecular Formula
C10H11Cl2N
MSDS COA Spec Sheet

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Specification

Synonyms
SCHEMBL9829419, 1-(3,5-dichlorophenyl)Pyrrolidine, AKOS022844883, DB-080622, 99660-44-3
IUPAC Name
1-(3,5-dichlorophenyl)pyrrolidine
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
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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