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AA36419

1261966-64-6 | 3-(4-Methylthiophenyl)-5-nitrobenzoic acid

Packsize Purity Availability Price Discounted Price    Quantity
1g 95% in stock $203.00 $142.00 -   +
5g 95% in stock $573.00 $402.00 -   +
10g 95% in stock $946.00 $662.00 -   +

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Description
Catalog Number: AA36419
Chemical Name: 3-(4-Methylthiophenyl)-5-nitrobenzoic acid
CAS Number: 1261966-64-6
Molecular Formula: C14H11NO4S
Molecular Weight: 289.3064
MDL Number: MFCD18320542
SMILES: CSc1ccc(cc1)c1cc(cc(c1)C(=O)O)[N+](=O)[O-]

 

Computed Properties
Complexity: 363  
Covalently-Bonded Unit Count: 1  
Heavy Atom Count: 20  
Hydrogen Bond Acceptor Count: 5  
Hydrogen Bond Donor Count: 1  
Rotatable Bond Count: 3  
XLogP3: 3.4  

 

 

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