[2-(azepan-1-yl)-2-oxoethyl] 4-methylsulfonyl-3-nitrobenzoate
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![[2-(azepan-1-yl)-2-oxoethyl] 4-methylsulfonyl-3-nitrobenzoate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/dfcab1e29ed7431fab171edf1bbdd164.png "[2-(azepan-1-yl)-2-oxoethyl] 4-methylsulfonyl-3-nitrobenzoate")
[2-(azepan-1-yl)-2-oxoethyl] 4-methylsulfonyl-3-nitrobenzoate
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CAS No:
562067-12-3
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Formula:
C16H20N2O7S
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Chemical Name:
[2-(azepan-1-yl)-2-oxoethyl] 4-methylsulfonyl-3-nitrobenzoate
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Synonyms:
ZINC2661203;AKOS033487562;MCULE-1952377801;AB00725066-01;SR-01000054219;SR-01000054219-1;Z16345710;2-(azepan-1-yl)-2-oxoethyl 4-methanesulfonyl-3-nitrobenzoate;562067-12-3
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CAS No:
[2-(azepan-1-yl)-2-oxoethyl] 4-methylsulfonyl-3-nitrobenzoate Basic Attributes
384.4 g/mol
384.09912215 g/mol
Computed Properties
Molecular Weight:384.4
XLogP3:1.6
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:384.09912215
Monoisotopic Mass:384.09912215
Topological Polar Surface Area:135
Heavy Atom Count:26
Complexity:630
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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