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2-[5-chloro-2-oxo-3-(2-oxopropyl)-1,3-benzothiazol-3-ium-3-yl]acetamide

2-[5-chloro-2-oxo-3-(2-oxopropyl)-1,3-benzothiazol-3-ium-3-yl]acetamide structure

CAS No:
33353-01-4
Formula:
C12H12ClN2O3S+
Chemical Name:
2-[5-chloro-2-oxo-3-(2-oxopropyl)-1,3-benzothiazol-3-ium-3-yl]acetamide
Synonyms:
33353-01-4;BRN 1221038;NTA-190;6-bromo-5-chloronicotinicacid;6-Bromo-5-chloro-nicotinic acid;DTXSID70954980;5-Chloro-N-(2-hydroxypropyl)-2-oxo-3(2H)-benzothiazoleacetamide;3(2H)-Benzothiazoleacetamide, 5-chloro-N-(2-hydroxypropyl)-2-oxo-;A6479;3-Benzothiazolineacetamide, 5-chloro-N-(2-hydroxypropyl)-2-oxo- (8CI);5-Chloro-3-(2-hydroxy-2-iminoethyl)-2-oxo-3-(2-oxopropyl)-2,3-dihydro-1,3-benzothiazol-3-ium

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2-[5-chloro-2-oxo-3-(2-oxopropyl)-1,3-benzothiazol-3-ium-3-yl]acetamide Basic Attributes

Molecular Weight：

299.75 g/mol

Exact Mass：

299.0257161 g/mol

Characteristics

PSA：

103 Å²

Computed Properties

Molecular Weight:299.75
XLogP3:1.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:299.0257161
Monoisotopic Mass:299.0257161
Topological Polar Surface Area:103
Heavy Atom Count:19
Formal Charge:1
Complexity:431
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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2-[5-chloro-2-oxo-3-(2-oxopropyl)-1,3-benzothiazol-3-ium-3-yl]acetamide

38185-54-5

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Guide of 2-[5-chloro-2-oxo-3-(2-oxopropyl)-1,3-benzothiazol-3-ium-3-yl]acetamide

Basic Attributes
Characteristics
Computed Properties
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