tert-Butyl 5-methyl-2-nitrobenzoate

Base Information

• Chemical Name: tert-Butyl 5-methyl-2-nitrobenzoate
• CAS No.: 88071-89-0
• Molecular Formula: C12H15NO4
• Molecular Weight: 237.255
• DSSTox Substance ID: DTXSID20539428
• Wikidata: Q82415175

Synonyms:tert-Butyl 5-methyl-2-nitrobenzoate;88071-89-0;Benzoic acid, 5-methyl-2-nitro-, 1,1-dimethylethyl ester;DTXSID20539428;AKOS014798155

Chemical Property of tert-Butyl 5-methyl-2-nitrobenzoate

Chemical Property:

• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 237.10010796
• Heavy Atom Count: 17
• Complexity: 303

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• Canonical SMILES: CC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)OC(C)(C)C

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