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4-[5-[2-(2-chloro-5-nitrobenzoyl)oxyethyl]-4-methyl-1,3-thiazol-3-ium-3-yl]butane-1-sulfonate

4-[5-[2-(2-chloro-5-nitrobenzoyl)oxyethyl]-4-methyl-1,3-thiazol-3-ium-3-yl]butane-1-sulfonate structure

CAS No:
301842-67-1
Formula:
C17H19ClN2O7S2
Chemical Name:
4-[5-[2-(2-chloro-5-nitrobenzoyl)oxyethyl]-4-methyl-1,3-thiazol-3-ium-3-yl]butane-1-sulfonate
Synonyms:
SMR000363287;MLS001018814;MLS003911232;CHEMBL1423887;HMS2693P24;AKOS001021546;MCULE-3663098633;Z56774631;5-[2-(2-chloro-5-nitrobenzoyloxy)ethyl]-4-methyl-3-(4-sulfobutyl)-1,3-thiazol-3-ium;301842-67-1

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4-[5-[2-(2-chloro-5-nitrobenzoyl)oxyethyl]-4-methyl-1,3-thiazol-3-ium-3-yl]butane-1-sulfonate Basic Attributes

Molecular Weight：

462.9 g/mol

Exact Mass：

462.0322210 g/mol

Characteristics

PSA：

170 Å²

Computed Properties

Molecular Weight:462.9
XLogP3:3.2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:9
Exact Mass:462.0322210
Monoisotopic Mass:462.0322210
Topological Polar Surface Area:170
Heavy Atom Count:29
Complexity:654
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-[5-[2-(2-chloro-5-nitrobenzoyl)oxyethyl]-4-methyl-1,3-thiazol-3-ium-3-yl]butane-1-sulfonate

Basic Attributes
Characteristics
Computed Properties

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