2-methylbutyl 4-nitrobenzoate
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2-methylbutyl 4-nitrobenzoate
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CAS No:
6294-45-7
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Formula:
C12H15NO4
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Chemical Name:
2-methylbutyl 4-nitrobenzoate
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Synonyms:
2-methylbutyl 4-nitrobenzoate;6294-45-7;NSC9413;SCHEMBL9589434;DTXSID60278708;NSC-9413;4-Nitrobenzoic acid, 2-methylbutyl ester
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CAS No:
Computed Properties
Molecular Weight:237.25
XLogP3:3.7
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:237.10010796
Monoisotopic Mass:237.10010796
Topological Polar Surface Area:72.1
Heavy Atom Count:17
Complexity:266
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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