[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 2-chloro-4-nitrobenzoate
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[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 2-chloro-4-nitrobenzoate
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CAS No:
387341-51-7
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Formula:
C17H13ClN2O7
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Chemical Name:
[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 2-chloro-4-nitrobenzoate
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Synonyms:
ZINC3317421;AKOS033615893;MCULE-7180916738;AB00714699-01;Z18394633;{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}methyl 2-chloro-4-nitrobenzoate;387341-51-7
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CAS No:
[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 2-chloro-4-nitrobenzoate Basic Attributes
392.7 g/mol
392.0411285 g/mol
Computed Properties
Molecular Weight:392.7
XLogP3:2.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:392.0411285
Monoisotopic Mass:392.0411285
Topological Polar Surface Area:120
Heavy Atom Count:27
Complexity:570
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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