4-[butyl(methyl)amino]-3-nitrobenzoic acid
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![4-[butyl(methyl)amino]-3-nitrobenzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/8d64fdc0e7cc4d2dbbd6461dad11488b.png "4-[butyl(methyl)amino]-3-nitrobenzoic acid")
4-[butyl(methyl)amino]-3-nitrobenzoic acid
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CAS No:
1019465-91-8
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Formula:
C12H16N2O4
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Chemical Name:
4-[butyl(methyl)amino]-3-nitrobenzoic acid
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Synonyms:
4-[BUTYL(METHYL)AMINO]-3-NITROBENZOIC ACID;4-(Butyl(methyl)amino)-3-nitrobenzoic acid;CTK6E1967;ZINC13079402;AKOS000214428
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CAS No:
Computed Properties
Molecular Weight:252.27
XLogP3:2.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:252.11100700
Monoisotopic Mass:252.11100700
Topological Polar Surface Area:86.4
Heavy Atom Count:18
Complexity:303
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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