5-chloroisoindoline hydrochloride

CAS

912999-79-2

Catalog Number

ACM912999792

Category

Other Products

Molecular Weight

190.07

Molecular Formula

C8H8ClN.ClH

MSDS COA Spec Sheet

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What is the molecular formula of 5-chloroisoindoline hydrochloride?

The molecular formula of 5-chloroisoindoline hydrochloride is C8H9Cl2N.

What is the molecular weight of 5-chloroisoindoline hydrochloride?

The molecular weight of 5-chloroisoindoline hydrochloride is 190.07 g/mol.

What is the IUPAC name of 5-chloroisoindoline hydrochloride?

The IUPAC name of 5-chloroisoindoline hydrochloride is 5-chloro-2,3-dihydro-1H-isoindole;hydrochloride.

What is the InChI of 5-chloroisoindoline hydrochloride?

The InChI of 5-chloroisoindoline hydrochloride is InChI=1S/C8H8ClN.ClH/c9-8-2-1-6-4-10-5-7(6)3-8;/h1-3,10H,4-5H2;1H.

What is the InChIKey of 5-chloroisoindoline hydrochloride?

The InChIKey of 5-chloroisoindoline hydrochloride is SPDKLINCVDBABZ-UHFFFAOYSA-N.

What is the canonical SMILES of 5-chloroisoindoline hydrochloride?

The canonical SMILES of 5-chloroisoindoline hydrochloride is C1C2=C(CN1)C=C(C=C2)Cl.Cl.

What is the CAS number of 5-chloroisoindoline hydrochloride?

The CAS number of 5-chloroisoindoline hydrochloride is 912999-79-2.

What is the European Community (EC) number of 5-chloroisoindoline hydrochloride?

The European Community (EC) number of 5-chloroisoindoline hydrochloride is 809-936-1.

What is the hydrogen bond donor count of 5-chloroisoindoline hydrochloride?

The hydrogen bond donor count of 5-chloroisoindoline hydrochloride is 2.

What is the topological polar surface area of 5-chloroisoindoline hydrochloride?

The topological polar surface area of 5-chloroisoindoline hydrochloride is 122.

Upstream Synthesis Route 1

127168-77-8

912999-79-2

Reference: [1] Patent: WO2008/44041, 2008, A1, . Location in patent: Page/Page column 227

Upstream Synthesis Route 2

127168-76-7

912999-79-2

Reference: [1] Patent: WO2008/44029, 2008, A1, . Location in patent: Page/Page column 205

Upstream Synthesis Route 3

127168-76-7

912999-79-2

Reference: [1]Patent: WO2008/44029,2008,A1 .Location in patent: Page/Page column 205

Upstream Synthesis Route 4

127168-77-8

912999-79-2

Reference: [1]Patent: WO2008/44041,2008,A1 .Location in patent: Page/Page column 227

Downstream Synthesis Route 1

912545-09-6
912999-79-2

1240325-48-7

Reference: [1]Journal of Medicinal Chemistry,2010,vol. 53,p. 5956 - 5969

* For details of the synthesis route, please refer to the original source to ensure accuracy.