pentan-2-yl 4-nitrobenzoate
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pentan-2-yl 4-nitrobenzoate
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CAS No:
100391-69-3
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Formula:
C12H15NO4
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Chemical Name:
pentan-2-yl 4-nitrobenzoate
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Synonyms:
4-Nitrobenzoic acid, 2-pentyl ester;1-Methylbutyl 4-nitrobenzoate;pentan-2-yl 4-nitrobenzoate;4-nitro-benzoic acid-(1-methyl-butyl ester);1-Methylbutyl 4-nitrobenzoate #;NSC112884;NSC-112884;100391-69-3;Benzoic acid, 4-nitro, 1-methylbutyl ester
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CAS No:
Computed Properties
Molecular Weight:237.25
XLogP3:3.3
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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