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Butanoic acid, 3-oxo-, 2-[ethyl[4-[2-(5-nitro-2,1-benzisothiazol-3-yl)diazenyl]phenyl]amino]ethyl ester

Butanoic acid, 3-oxo-, 2-[ethyl[4-[2-(5-nitro-2,1-benzisothiazol-3-yl)diazenyl]phenyl]amino]ethyl ester structure

CAS No:
93981-75-0
Formula:
C21H21N5O5S
Chemical Name:
Butanoic acid, 3-oxo-, 2-[ethyl[4-[2-(5-nitro-2,1-benzisothiazol-3-yl)diazenyl]phenyl]amino]ethyl ester
Synonyms:
Butanoic acid,3-oxo-,2-[ethyl[4-[2-(5-nitro-2,1-benzisothiazol-3-yl)diazenyl]phenyl]amino]ethyl ester;Butanoic acid,3-oxo-,2-[ethyl[4-[(5-nitro-2,1-benzisothiazol-3-yl)azo]phenyl]amino]ethyl ester;2,1-Benzisothiazole,butanoic acid deriv.

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Butanoic acid, 3-oxo-, 2-[ethyl[4-[2-(5-nitro-2,1-benzisothiazol-3-yl)diazenyl]phenyl]amino]ethyl ester Basic Attributes

Molecular Weight：

455.48700

Exact Mass：

455.49

EC Number：

301-162-8

DSSTox ID：

DTXSID70240097

Characteristics

PSA：

158.28000

XLogP3：

5.49170

Density：

1.38g/cm3

Boiling Point：

649.7ºC

Flash Point：

346.7ºC

Refractive Index：

1.657

Computed Properties

Molecular Weight:455.5
XLogP3:4.5
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:10
Exact Mass:455.12633996
Monoisotopic Mass:455.12633996
Topological Polar Surface Area:158
Heavy Atom Count:32
Complexity:695
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Butanoic acid, 3-oxo-, 2-[ethyl[4-[2-(5-nitro-2,1-benzisothiazol-3-yl)diazenyl]phenyl]amino]ethyl ester

Basic Attributes
Characteristics
Computed Properties
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