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Home > Encyclopedia > 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

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

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

structure
  • CAS No:

    38185-54-5

  • Formula:

    C6H3BrClNO2

  • Chemical Name:

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

  • Synonyms:

    6-Bromo-5-chloronicotinsaeure; 3-(2-amino-2-oxoethyl)-5-chloro-2-oxo-3-(2-oxopropyl)-2,3-dihydro-1,3-benzothiazol-3-ium; 6-Brom-5-chlornicotinsaeure; 6-Bromo-5-chloro-nicotinic acid;

  • Categories:

    Chemical Reagents  >  Organic Reagents

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

236.45100

234.90357 g/mol

Characteristics

50.19000

2.19570

1.917g/cm3

359.5ºC

171.2ºC

1.629

Safety Information

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:236.45
XLogP3:2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:234.90357
Monoisotopic Mass:234.90357
Topological Polar Surface Area:50.2
Heavy Atom Count:11
Complexity:167
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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