Catalog No.:AA019N6K

313346-23-5 | 5-(chlorosulfonyl)-2,4-dimethylbenzoic acid

Name: Name:5-(chlorosulfonyl)-2,4-dimethylbenzoic acid
Brand: AABLOCKS
SKU: AA019N6K
Availability: InStock
Rating: 90 (10 reviews)

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Quantity

95%

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$115.00 $81.00

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95%

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$349.00 $245.00

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25g

95%

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$1,743.00 $1,220.00

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Technical Information
Properties
Downstream Synthesis Route
Literature
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Technical Information
Properties
Downstream Synthesis Route
Literature

Technical Information

Catalog Number:

AA019N6K

Chemical Name:

5-(chlorosulfonyl)-2,4-dimethylbenzoic acid

CAS Number:

313346-23-5

Molecular Formula:

C9H9ClO4S

Molecular Weight:

248.6834

MDL Number:

MFCD09049987

SMILES:

OC(=O)c1cc(c(cc1C)C)S(=O)(=O)Cl

Properties

Computed Properties

Complexity:

346

Covalently-Bonded Unit Count:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Rotatable Bond Count:

XLogP3:

2.2

Downstream Synthesis Route

313346-23-5

2,4-dimethyl-5-sulfinobenzoicacid

[1]Patent:WO2018/89433,2018,A1.Locationinpatent:Paragraph00369

[2]JournalofMedicinalChemistry,1997,vol.40,p.2017-2034

611-01-8

313346-23-5

[1]Patent:WO2018/89433,2018,A1.Locationinpatent:Paragraph00368;00623

[2]JournalofMedicinalChemistry,1997,vol.40,p.2017-2034

[3]AngewandteChemie-InternationalEdition,2017,vol.56,p.248-253 Angew.Chem.,2017,vol.129,p.254-259,6

313346-23-5

176641-71-7

[1]JournalofMedicinalChemistry,1997,vol.40,p.2017-2034

313346-23-5

N-diaminomethylene-2,4-dimethyl-5-methylsulfonylbenzamide

[1]JournalofMedicinalChemistry,1997,vol.40,p.2017-2034

C29H37N3O

313346-23-5

C38H45N3O5S

[1]AngewandteChemie-InternationalEdition,2017,vol.56,p.248-253 Angew.Chem.,2017,vol.129,p.254-259

Literature

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SDS

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Tags:313346-23-5 Molecular Formula|313346-23-5 MDL|313346-23-5 SMILES|313346-23-5 5-(chlorosulfonyl)-2,4-dimethylbenzoic acid