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5-Chloro-2-(4-nitrophenyl)-3(2H)-isothiazolone

5-Chloro-2-(4-nitrophenyl)-3(2H)-isothiazolone structure

CAS No:
748777-47-1
Formula:
C9H5ClN2O3S
Chemical Name:
5-Chloro-2-(4-nitrophenyl)-3(2H)-isothiazolone
Synonyms:
5-Chloro-2-(4-nitrophenyl)-3(2H)-isothiazolone;5-chloro-2-(4-nitrophenyl)-1,2-thiazol-3-one;3(2H)-Isothiazolone, 5-chloro-2-(4-nitrophenyl)-;CCT077791;5-Chloro-2-(4-nitrophenyl)-3(2H)-isothiazolone Discontinued

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5-Chloro-2-(4-nitrophenyl)-3(2H)-isothiazolone Basic Attributes

Molecular Weight：

256.67

Exact Mass：

255.9709409

Characteristics

PSA：

96.06000

XLogP3：

2.98380

Density：

1.65±0.1 g/cm3

Melting Point：

175-178 °C(Solv: ethanol (64-17-5); ligroine (8032-32-4))

Boiling Point：

421.3±55.0 °C(Predicted)

PKA：

-7.05±0.40

5-Chloro-2-(4-nitrophenyl)-3(2H)-isothiazolone Use and Manufacturing

Acts as an inhibitor of PCAF and p300 histone acetyltransferase activity as well as showing antifungal activity.

Computed Properties

Molecular Weight:256.67
XLogP3:2.3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:255.9709409
Monoisotopic Mass:255.9709409
Topological Polar Surface Area:91.4
Heavy Atom Count:16
Complexity:347
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-Chloro-2-(4-nitrophenyl)-3(2H)-isothiazolone

Basic Attributes
Characteristics
Use and Manufacturing
Computed Properties

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