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1-(4-nitrophenyl)-2-quinolin-2-ylsulfanylethanone,hydrobromide

1-(4-nitrophenyl)-2-quinolin-2-ylsulfanylethanone,hydrobromide structure

CAS No:
134826-63-4
Formula:
C17H13BrN2O3S
Chemical Name:
1-(4-nitrophenyl)-2-quinolin-2-ylsulfanylethanone,hydrobromide
Synonyms:
1-(4-nitrophenyl)-2-quinolin-2-ylsulfanylethanone hydrobromide; Ethanone,1-(4-nitrophenyl)-2-(2-quinolinylthio)-,monohydrobromide; 1-(4-Nitrophenyl)-2-(2-quinolinylthio)ethanone monohydrobromide;

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1-(4-nitrophenyl)-2-quinolin-2-ylsulfanylethanone,hydrobromide Basic Attributes

Molecular Weight：

405.26600

Exact Mass：

403.98303

DSSTox ID：

DTXSID30158982

Characteristics

PSA：

101.08000

XLogP3：

5.59930

Boiling Point：

536.8ºC

Flash Point：

278.4ºC

Vapor Pressure：

1.36E-11mmHg at 25°C

Computed Properties

Molecular Weight:405.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:403.98303
Monoisotopic Mass:403.98303
Topological Polar Surface Area:101
Heavy Atom Count:24
Complexity:432
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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Guide of 1-(4-nitrophenyl)-2-quinolin-2-ylsulfanylethanone,hydrobromide

Basic Attributes
Characteristics
Computed Properties

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