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1-(3-nitro-4-pyridin-2-ylsulfanylphenyl)ethanone

1-(3-nitro-4-pyridin-2-ylsulfanylphenyl)ethanone structure

CAS No:
175137-44-7
Formula:
C13H10N2O3S
Chemical Name:
1-(3-nitro-4-pyridin-2-ylsulfanylphenyl)ethanone

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1-(3-nitro-4-pyridin-2-ylsulfanylphenyl)ethanone Basic Attributes

Molecular Weight：

274.29500

Exact Mass：

274.04121336 g/mol

DSSTox ID：

DTXSID80346791

HScode：

2933399090

Characteristics

PSA：

101.08000

XLogP3：

3.86680

Density：

1.38g/cm3

Melting Point：

109ºC

Boiling Point：

417.9ºC at 760mmHg

Flash Point：

206.5ºC

Refractive Index：

1.653

Water Solubility：

38 [ug/mL]

Vapor Pressure：

3.42E-07mmHg at 25°C

Computed Properties

Molecular Weight:274.30
XLogP3:2.8
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:274.04121336
Monoisotopic Mass:274.04121336
Topological Polar Surface Area:101
Heavy Atom Count:19
Complexity:345
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-(3-nitro-4-pyridin-2-ylsulfanylphenyl)ethanone

Basic Attributes
Characteristics
Computed Properties

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